bluuebunny/crossref_metadata_2025 huggingface dataset:
Ne Emissions from a He Discharge Flow System: II. Products of the Reaction He(21S)+Ne(11S)
Authors: Haak H. K. , Wittig B. , Stuhl F.
Published: February 2015

A windowless He discharge was used to produce metastable singlet He(21S) by the photolysis process He(11S) + 58.4 nm→ He(21P) and He(21P) → He(21S) + 2058 nm. Metastable He(21S) were found to transfer their energy to Ne to populate the Ne 5s, 5s′, 4d, 4d′, 3d, and 3d′ states. In the present work the detailed relative population of these states and their rates of population are determined.
X-Ray Diffraction and Structural Properties of Aqueous Solutions of Divalent Metal-Chlorides
Authors: Caminiti R. , Licheri G. , Paschina G. , Piccaluga G. , Pinna G.
Published: February 2015

X-ray diffraction data are reported for aqueous solutions of CaCl2 (6.30 M), CdCl2 (0.87 and 1.26 M) and NiCl2 (1.96 and 3.88 M). The highly concentrated CaCl2 solution shows a medium range order resembling that of the corresponding hydrate crystal. The CdCl2 solutions are characterized by the presence of complexes with chloride ions in the first coordination sphere of the cation. In NiCl2 solutions, a first sphere Ni-Cl coordination can be excluded and the existence of six Ni-H2O nearest neighbour contacts is clearly confirmed. In these solutions no evidence was found for the existence of highly ordered structures; hexa-aquo cations interact with external water molecules and, at the highest concentration, some outer sphere Ni-Cl correlation is possible as due to packing.
1,2,4-Triazole Complexes XIII
Authors: Engelfriet D. W. , Groeneveld W. L. , Nap G. M.
Published: February 2015

Powdered samples of β-Ni(trz)2(NCS)2 have been investigated by measurements of the magnetic susceptibility (in the temperature range T = 15-300 K), magnetization (at T = 4.2 K) and heat capacity (T = 1-90 K). From the magnetization measurements the material is found to be a weak ferromagnet, with a zero-field magnetic moment of ~ 0.015 μB. The ordering temperature is determined as Tc = 10.14(2) K. The susceptibility and heat capacity data are in reasonable agreement with predictions from high-temperature series expansions for the quadratic layer, S = 1, Heisenberg antiferromagnet, with an intralayer exchange constant J/k = - 4.5(1) K.
1,2,4-Triazole Complexes XIV
Authors: Engelfriet D. W. , Groeneveld W. L. , Nap G. M.
Published: February 2015

Heat capacity measurements on Mn(trz)2(NCS)2 in the range 1 - 90 K are reported. A λ-anomaly is found at Tc = 3.292(6) K. From a comparison of the high-temperature specific heat to the predictions from series expansions the intralayer exchange constant is found to be J/k = 0.245(5) K. From the total magnetic energy involved in the transition the value J/k = - 0.254(8) K is calculated. These results compare favourably with previous data from susceptibility measurements.

From very recent X-ray diffraction experiments on a single crystal the space group is found to be Pbcn instead of Aba2, as was reported previously.
Notizen: Concentration and Location of Hydroxylgroups in Hydrated Zeolite Linde 13X, Hydrolysis by Washing, as Determined by Proton Magnetic Resonance at 90 K
Authors: Basier W. D.
Published: February 2015

By H-NMR at 90 K, 0.3 OH-groups within one sodalite cage of zeolite Linde 13 X have been found. There are no (≲<0.1) OH-groups in the supercages. The concentration of OH-groups is strongly increased after hydrolysis by washing.
Magnetic Field Influence on Coulomb Relaxation of Anisotropic Electron-Ion-Plasmas
Authors: Hübner G. , Schamel H.
Published: February 2015

The relaxation of velocity-space-anisotropies due to Coulomb collisions is studied within the class of bi-Maxwellian distributions in the presence of an external homogeneous magnetic field, both analytically and numerically. It is found that the anisotropy dependence of the energy exchange collision frequency well separates from its magnetic field dependence. In a certain region of magnetic field strength, the latter can be approximated by a substitution of the thermal electron's Larmorradius for the Debye-length in the Coulomb-logarithm, as has been conjectured earlier.
Relativistic Energy States of the A-Particle in Hypernuclei Using Gaussian Potentials
Authors: Koutroulos C. G.
Published: February 2015

The Dirac equation with scalar potential and fourth component of vector potential of the Gaussian form is solved numerically for potential parameters obtained by a least squares fitting of the ground state binding energies of the A in a number of hypernuclei. The binding energies in the ground and excited states for various hypernuclei are determined. The spacings between the various levels are also given
Decomposition of Positive Sesquilinear Forms and the Central Decomposition of Gauge-Invariant Quasi-Free States on the Weyl-Algebra
Authors: Honegger Reinhard
Published: February 2015

A decomposition theory for positive sesquilinear forms densely defined in Hilbert spaces is developed. On decomposing such a form into its closable and singular part and using Bochner's theorem it is possible to derive the central decomposition of the associated gauge-invariant quasifree state on the boson C*-Weyl algebra. The appearance of a classical field part of the boson system is studied in detail in the GNS-representation and shown to correspond to the so-called singular subspace of a natural enlargement of the one-boson testfunction space. In the example of Bose-Einstein condensation a non-trivial central decomposition (or equivalently a non-trivial classical field part) is directly related to the occurrence of the condensation phenomenon.
The Influence of the Skin Effect on the Amplitude of Single Pulse Gamma Detected NMR on Oriented Nuclei Signals
Authors: Isbister D. J. , Chaplin D. H.
Published: February 2015

The effects of skin depth on gamma detected single pulse Nuclear Magnetic Resonance on Oriented Nuclei (NMRON) signals are theoretically explored for narrow, intermediate and broad line metallic samples, using the density matrix approach describing a pure Zeeman system. It is shown that the skin effect distortion of the signal can dominate over intermediate to broadline distortions for that range of experimental conditions generally applicable to ferromagnetic hosts. In particular, the skin effect distortions of the first maximum, obtained when the excitation pulse width is lengthened, are significant and can determine the accuracy of calibration of the radiofrequency "(rf)" field amplitude at the resonating nuclei when assigning an average turn angle to this maximum.
Fluorescence Spectra and Determination of the Energy of O-O Transitions of Coumarins in Liquid Solutions
Authors: Bączyński A. , Targowski P. , Ziętek B. , Radomska D.
Published: February 2015

Analytical expressions of absorption and fluorescence spectra of some coumarins in ethyl alcohol at room temperature are given. Satisfactory agreement of measured and calculated spectra is obtained. It was possible to obtain the pure electronic transition energies immediately after excitation (from absorption spectra) and after the thermal and orientational equilibrium is reached (from fluorescence). An optical transition carries a dye-solvent system to a state in which the mutual interaction energy is larger than in the initial state
X-ray Diffraction Analysis of NdCl3 Melt
Authors: Igarashi Kazuo , Kosaka Mineo , Ikeda Masahiro , Mochinaga Junichi
Published: February 2015

The structure of molten NdClj at 800 CC has been investigated by X-ray scattering and the correlation method. The nearest neighbor distance and coordination number of Nd-Cl are 2.77 Ä and 5.5 A, respectively. The Nd-Nd and CI-CI distances are 5.08 and 4.04 Ä, respectively. The average nearest neighbor distance and coordination number decrease markedly on melting, and the resulting short range structure of the melt is approximately octahedral
X-ray- and Neutron-diffraction Studies with Quasicrystalline and Amorphous Al-V- and Al-Mn-alloys
Authors: Seehafer S. , Lamparter P. , Steeb S.
Published: February 2015

Amorphous and quasicrystalline samples of Al84Mn16 and Al84V16 were produced by sputtering and melt-spinning, respectively. From X-ray and neutron-diffraction-results the total structure factors were evaluated. For amorphous as well as for quasicrystalline Al84V16 the partial SAl-Al- and SAl-V-structure factors were obtained, which yield the corresponding partial pair correlation functions, the atomic distances, and the partial coordination numbers. Also some information concerning the partial Bhatia-Thornton correlation functions could be obtained.

Both the amorphous and the quasicrystalline Al-V-alloys show a linear expansion by a factor of 1.03 compared to the corresponding Al-Mn-alloy. The two amorphous alloys can be designed as isomorphous, whereas the quasicrystalline ones show pronounced deviations in the distance between unequal atoms. The shortest atomic distance in amorphous Al84V16 is 2.69 A, being,formed by Al-V-pairs with a coordination number 2. The nearest Al-Al-distance amounts to 2.84 A with a coordination number 8. The partial density-concentration correlation function clearly deviates from the hard sphere model.

With the quasicrystalline specimens, the isomorphous substitution of Mn- and V-atoms is not perfect. The Al-V-correlation is split up, and this is not observed for the Al-Mn-correlation. Comparison of the amorphous and the corresponding quasicrystalline alloy shows some similarities
On Electromagnetic Fields in a Periodically Inhomogeneous Chiral Medium
Authors: Lakhtakia Akhlesh , Varadan Vijay K. , Varadan Vasundara V.
Published: February 2015

Electromagnetic fields in a periodically inhomogeneous chiral medium are examined. The constitutive properties of the chiral medium vary along the z axis, and reduced fields with prescribed x-variations are used. Coupled first-order differential equations are derived to describe the reduced fields. Two special cases -(i) piecewise constant inhomogeneity, and (ii) constant impedance inhomogeneity, - are discussed in detail, and solution procedures are provided
Higher Tori in Volume-Preserving Maps
Authors: Baier Gerold , Klein Michael , Rössler Otto E.
Published: February 2015

A hierarchy of «-Tori is demonstrated numerically in volume-preserving (n + l)-dimensional invertible maps.
The Microwave Spectrum of Isopropyl Iodide: The Iodine Hyperfine Structure and a Centrifugal Distortion Analysis
Authors: Gripp Joachim , Dreizler Helmut
Published: February 2015

The ground stafe microwave spectrum of isopropyl iodide has been investigated by microwave Fourier transform (MWFT) spectroscopy. 212 hyperfine components of 39 mainly a-type transitions have been assigned from the measured spectra in the frequency range between 4 and 30 GHz. With a MWFT double resonance modulation (MWFTDR) spectrometer a weak c-type transition and a "forbidden" ΔJ = 2 line could be observed. The spectra were analysed using a diagonalization procedure of the complete Hamiltonian matrix and a simultaneous least squares fit of the rotational, quartic centrifugal distortion and the iodine quadrupole and spin rotation coupling constants directly to the measured frequencies. A set of 14 constants could be obtained with high accuracy. The rotational constant A and some of the centrifugal distortion constants could be improved using some large higher order quadrupole perturbations and the results of the MWFTDR measurements for the analysis.
Covariant Electrodynamics in Vacuum
Authors: Wilhelm H. E.
Published: February 2015

The generalized Galilei covariant Maxwell equations and their EM field transformations are applied to the vacuum electrodynamics of a charged particle moving with an arbitrary velocity v in an inertial frame with EM carrier (ether) of velocity w. In accordance with the Galilean relativity principle, all velocities have absolute meaning (relative to the ether frame with isotropic light propagation), and the relative velocity of two bodies is defined by the linear relation uG = v1 - v2. It is shown that the electric equipotential surfaces of a charged particle are compressed in the direction parallel to its relative velocity v - w (mechanism for physical length contraction of bodies). The magnetic field H(r, t) excited in the ether by a charge e moving uniformly with velocity v is related to its electric field E(r, t) by the equation H=ε0(v - w)xE/[ 1 +w • (t>- w)/c2
0], which shows that (i) a magnetic field is excited only if the charge moves relative to the ether, and (ii) the magnetic field is weak if v - w is not comparable to the velocity of light c0 . It is remarkable that a charged particle can excite EM shock waves in the ether if |i> - w\ > c0. This condition is realizable for anti-parallel charge and ether velocities if |v-w| > c0- | w|, i.e., even if |v| is subluminal. The possibility of this Cerenkov effect in the ether is discussed for terrestrial and galactic situations
Cold Fusion: A Hypothesis
Authors: Schwinger Julian
Published: February 2015

It is suggested that the evidence for the putative phenomenon of cold fusion is valid, but that the effect is not dominated by a DD reaction.
Does Cold Fusion Exist and is it Measurable?
Authors: Komarov V. V. , Melsheimer O. , Popova A.
Published: February 2015

The dynamical nature of the cold fusion problem is considered. A general model of two slow charged particles interacting in a metal crystal is developed. It is shown that there exists a resonance state of this system. The value of the positive real resonance energy depends on the properties of the metal crystal. An estimate of the probability of cold nuclear fusion in condensed matter is given
Luminescence Properties of Transition-Metal Ions in Double Complex Salts
Authors: Schmidtke Hans-Herbert , Mink Hans J.
Published: February 2015

The luminescence spectra and radiative lifetimes of a series of d3 and d6 double complex compounds with bipyridine (bip), phenanthroline (phen), ammonia and ethylenediamine (en) ligands in the cations and chloride, cyanide, thiocyanide and oxalate (ox) ligands in the anions have been investigated at temperatures down to 2 K. Although energy transfer between the component ions is predicted from the Förster and Dexter theory to be effective due to the finite overlap of the donor emission and the acceptor absorption spectra, no emission could be detected for most of the double complexes. Only [Ru(bip)3]tr-[Cr(NH3)2(NCS)4]2, [Ru(bip)3][PtCl6] and [Cr(d4-en)3] [Rh(SCN)6] exhibit characteristic luminescence spectra which in part are enhanced compared to their component emissions. For rationalizing the results, radiationless deactivation by various decay channels which compete with the energy transfer mechanism must be considered.
RKR Potential, FCF and Mixing Coefficients of the A1 Σu
+ and b3Πu States of Na2
Authors: Babaky O. , Hussein K.
Published: February 2015

A study of the spin-orbit interaction between the A1Σu
+ and b3Πu states of Na2 , based on the collision-induced transitions (2) 1Σ g →A
1
Σu
+ recorded with a high resolution Fourier transform spectrometer, had led to the determination of the deperturbed constants of the A1Σu
+ and b3Πu states [1]. From these constants the Rydberg-Klein-Rees (RKR) potential curves for the A1Σu
+ (0≦v≦ 15) and b3Πu (0 ≦ v ≦ 25) states and the Franck-Condon factors (FCF) within the range of vibrational levels involved in the interaction of these two states are calculated, together with the mixing coefficients for the pair (A1Σu
+)v=4 - (b3Πu)v=10.
Investigation of the Microwave Spectrum of Perchlorylfluoride by Microwave Fourier Transform Spectroscopy
Authors: Heldmann C. , Dreizler H.
Published: February 2015

We reinvestigated the rotational spectrum of perchlorylfluoride-35Cl and -37Cl by microwave Fourier transform spectroscopy and determined the rotational, centrifugal and quadrupole coupling constants and the dipole moment with higher precision and the spin-rotation constants for the first time.
High Resolution Study of the Rotational Spectrum of Formaldoxime, Combined with Quantum Chemical Calculations, Its 14N Spin-Rotation Coupling, 14N Nuclear Quadrupole hfs, and Its Rotational Zeeman-Effect
Authors: Klesing A. , Sutter D. H.
Published: February 2015

A high resolution study of the rotational spectrum of formaldoxime was carried out with the aim to resolve a discrepancy between early microwave results and recent ab initio calculations. Accurate 14N quadrupole coupling constants and spin-rotation coupling constants could be derived from zero field hfs multiplets. From the Zeeman-splittings in external magnetic fields up to 18kGauss the diagonal elements of the molecular g-tensor and the anisotropics in the diagonal elements of the molecular magnetic susceptibility tensor were obtained and were used to derive the diagonal elements of the molecular electric quadrupole moment tensor. For comparison, Hartree Fock SCF calculations were carried out with a basis of TZVP quality. As it turned out such calculations are able to reproduce the molecular electric quadrupole moment tensor but fail to reproduce the 14N nuclear qudrupole coupling constants to better than 0.3 MHz. A revised formula to predict spinrotation coupling constants of first row elements such as nitrogen is also proposed.
Pure Rotation Spectrum of NNO in the Far Infrared Region
Authors: Yamada Koichi M. T.
Published: February 2015

The pure rotational spectrum of NNO has been observed as an impurity in the NO spectrum which has been recorded with a high resolution Fourier transform spectrometer. The observed high-J transitions in the ground vibrational state were analyzed by a least-squares fit together with the available millimeter and submillimeter wave data. It has been proved that the highly precise data of Maki et al. [3] can be used as a wavenumber standard for the far infrared.
Chaos Near Structural Phase Transition
Authors: Beige H. , Diestelhorst M. , Forster R. , Albers J. , Petersson J.
Published: February 2015

An experimental model of a Duffing oscillator is presented. It consists of a linear inductance, a resistance and a ferroelectric nonlinear capacitance. A computer controlled measuring system recorded quantitatively the phase portrait of this series-resonance circuit. The comparison of experimentally observed phase portraits with those calculated by a computer allows to check different assumptions about the nature of the nonlinear properties
Methyl Internal Rotation Fine Structure in the Ground State Rotational Spectrum of Gauche Butane
Authors: Vormann Kirsten , Dreizler Helmut , Hübner Hans , Hüttner Wolfgang
Published: February 2015

The methyl torsional fine structure in the rotational spectrum of gauche butane in the vibrational ground state was investigated in the frequency range between 10 and 141 GHz. Using the internal axis method (IAM) in the formulation of Woods, all internal rotation parameters were determined with high accuracy. The barrier height of the methyl internal rotation was determined to 11.34 (29) kJ/mol (2.710 (69) kcal/mol)
Notizen: A Pulsed Molecular Beam Microwave Fourier Transform Spectrometer with Parallel Molecular Beam and Resonator Axes
Authors: Grabow J.-U , Stahl W.
Published: February 2015

We report on first experiences with a pulsed molecular beam microwave Fourier transform spectrometer with parallel molecular beam and resonator axes. This setup shows up a high resolution and sensitivity.
The Effect of ω-Substituted Acceptors in 4-Dimethylamino-trans-Styrenes on the Polarity in the Ground and Excited Singlet State
Authors: Kawski A. , Gloyna D. , Bojarski P. , Czajko J. , Gadomska-Lichacz J.
Published: February 2015

The electric dipole moment in the ground (μg) and in the first excited singlet state (μe) of co-substituted acceptors in 4-dimethylamino-trans-styrenes (Z = P(S)Ph2 , P(O)Ph2 , SO2CH3 ) were determined by solvatochromic and thermochromic methods. The obtained values of μe and μg and the values for Z = CN and Z = NO 2 known from the literature [2] fulfill the linear relation between the dipole moments (μe or μg and the Hammett constants σp of the substituents. On pincreasing the electron-acceptor power of Z, μe grows faster than μg
Contribution of Malonyl Radical Control in the Classical Belousov-Zhabotinsky Reaction
Authors: Försterling Horst-Dieter , Murányi Szilvia
Published: February 2015

In the original theory of the Belousov-Zhabotinsky reaction it is assumed that the oscillations are exclusively controlled by bromide ions. From uv/vls and ESR experiments on BZ systems started with Ce4 + we conclude that malonyl radicals play an important role as additional intermediates. The experiments are in agreement with calculations based on the Radicalator model.
Temperature and Pressure Dependence of Self Diffusion in Octamethylcyclotetrasiloxane and Hexamethylcyclotrisilazane
Authors: Greiner-Schmid A. , Has M. , Lüdemann H.-D.
Published: February 2015

The pressure dependence of the self diffusion coefficient D for octamethylcyclotetrasiloxane and hexamethylcyclotrisilazane has been determined by the NMR spin echo technique with pulsed magnetic field gradients at pressures up to 200 MPa and at temperatures between 490 K and 290 K.

The data extend partially into the deeply supercooled range. The isobaric temperature dependence of these data is quantitatively described by the empirical Vogel-Fulcher-Tammann equation. For both substances the melting pressure curves were determined in addition.
Intermolecular Potential Function Including Anisotropie Terms for Ammonia/Cu2+ Based on ab-initio Calculations
Authors: Kroemer R. T. , Michopoulos Y. , Rode B. M.
Published: February 2015

An intermolecular pair potential function for Cu2+-NH3 has been derived based on ab-initio calculations with a ECP-DZV basis set. For copper the original ECP-DZV basis set was modified in order to avoid unwanted charge-transfer effects. The final potential function including anisotropic terms was constructed from a total of 679 configurations.
Dissipative Structures in Demixing Binary Liquid Systems
Authors: Zander Roland , Dittmann Michael , Schneider Gerhard M.
Published: February 2015

The demixing of a horizontal fluid layer of far-critical composition in the presence of a vertical temperature gradient can cause the formation of dissipative structures and thereby lead to a regular distribution of the precipitate. The occurrence of these convective structures is explained with the model of a Rayleigh-Benard instability (RBI) which is driven by parallel gradients of temperature and concentration. The distribution of the precipitate is a synergetic effect of the macroscopic convective pattern and the local action of the Marangoni flow at the surfaces of the drops. If boundary conditions prohibit an RBI, the distribution of the precipitate also becomes inhomogeneous in course of time; however, in this case no regular pattern is observable and the inhomogeneities develop mainly due to the Marangoni convection near the surfaces of the larger drops that have settled at the boundary of the sample volume
ENDOR Spectra of Pyrene Excited Triplet State in Naphthalene-TCNB Crystals
Authors: Corvaja Carlo , Lodolo Andrea , Maniero Anna Lisa
Published: February 2015

Triplet state traps, observed on optically excited single crystals of Naphthalene-TCNB doped with Pyrene, have been studied by EPR and ENDOR spectroscopy. The magnetic resonance lines recorded at low temperature (20 K) are shown to be due to triplet excitations localized almost completely on a Pyrene molecule. The complete hyperfine tensors of all the protons have been determined. The spin distribution is shown to be distorted in such a way that the triplet Pyrene molecule lacks the in-plane symmetry axes of the ground state molecule. The orientation of the triplet molecule in the crystal lattice and the relative orientation of Pyrene and TCNB are also discussed.
The Local Ordering of Molten LiNbO3 by X-ray Diffraction
Authors: Sugiyama K. , Nomura K. , Waseda Y. , Andonov P. , Kimura S. , Shigematsu K.
Published: February 2015

The structure of molten LiNbO3 has been studied in the range 1550-1600 K by high temperature X-ray diffraction. Octahedrally coordinated niobium is suggested to exist in the melt as a fundamental local structure.
The EFG Asymmetry Parameters at 35 Cl Nuclei and the Electronic Effects in Chlorine-Containing Organic and Complex Compounds of Group IVA and VA Elements
Authors: Feshin Valentin P. , Voronkov Mikhail G.
Published: February 2015

The 35 CL NQR method and, in particular, the EFG asymmetry parameters at 35 Cl nuclei were used for the solution of a number of principal problems of theoretical organic and organometallic chemistry, such as the mechanism of non-induction influence of the heteroatom M on the atom Y in the non-linear Y-Z-M or Y-Z = M group, M-Cl bond multiplicity in planar molecular fragments and the asymmetry of halogen atom electron distribution in organic and organometallic molecules. In tetrahedral molecules this distribution is nearly axially symmetric for different M. This symmetry is also characteristic for axial chlorine atoms in trigonal-bipyramidal and octahedral molecules, independently of M. The deviation of the electron distribution of equatorial chlorine atoms from axial symmetry in the two latter cases depends essentially upon M and does not depend much on the peculiarity of the formation of these polyhedra and the character and number of substituents.
Single Crystal 35Cl NQR of 2,3,4,4-Tetrachloro-1-oxo-1,4-dihydronaphthaline and of 2,2,3,4-Tetrachloro-1 -oxo-1,2-dihy dronaphthaline
Authors: Brummer Stefanie , Weiden Norbert , Weiss Alarich
Published: February 2015

2,3,4,4-Tetrachloro-1-oxo-1,4-dihydronaphthaline, ß-TKN, crystallizes in the orthorhombic space group D1 6
2 h - Pnma with Z = 4, and the 35Cl NQR spectrum consists of three lines with an intensity ratio of 2:1:1. The crystal structure of 2,2,3,4-tetrachloro-1-oxo-1,2-dihydronaphthaline, α-TKN, is described in literature as belonging to the polar space group C2
2 - P 21 with Z = 2. In contradiction to the reported space group and Z, we observed a three line 35Cl NQR spectrum with an intensity ratio of 2:1:1. Therefore, the crystal structure of α-TKN was redetermined at 7 = 296 K: space group C2
2h-P21/m, Z = 2, a = 888.4 (2) pm, b = 692.3 (2) pm, c = 869.6 (2) pm, β = 91.483 (5)°. The nuclear quadrupole coupling tensors have been investigated using a 4 π Zeeman NQR goniometer and FT NQR for tracing the zero splitting cones.

According to the crystal structure of β-TKN, two symmetry related zero splitting cones have been found for Cl(2), two for Cl(3), and four for Cl(4) ( T = 297 K). From the single crystal Zeeman split NQR measurements of α-TKN one zero splitting cone has been found for Cl(3), one for Cl(4), and two for CI(2) (T=290 K).

The asymmetry parameters η and the direction cosines of the principal axes Φxx, and Φyy, and Φzz of the nuclear quadrupole coupling tensors have been determined. The results are: Cl(j), v (35Cl(j)), e2 Q q h -1 (35Cl(j)), η(35Cl(j)) for β-TKN (at T = 297 K): Cl(2), 37.442 MHz, 74.469 MHz, 0.184; Cl(3), 36.854 MHz, 73.083 MHz, 0.160; Cl(4) , Cl(4'), 38.685 MHz, 77.307 MHz, 0.070 and for α-TKN (at T = 290 K): Cl(2), CI(2'), 38.297 MHz, 76.501 MHz, 0.086; Cl(3), 36.943 MHz, 73.700 MHz, 0.123; Cl(4), 36.311 MHz, 72.314 MHz, 0.160. By comparing the crystal structures and the 35Cl NQR results, the C-Cl bonds in the title compounds are discussed.
35Cl NQR Studies of Hexachlorometallates(IV) with Organic Cations, A2 [MCl6] and A'[MCl6], M=Sn, Te, Pb and A+, A'2+ = Organic Cation
Authors: Borchers Dirk , Weiss Alarich
Published: February 2015

35Cl NQR spectra of eleven hexachlorometallates (IV) A1 [MCl6] and A'[MCl6], M = Sn, Te, Pb, and A+ =ethylammonium, 4-picolinium, anilinium, triethylammonium, chinoxalinium, and piperi-dinium ions, and A'2+ = 1.3-propylenediammonium ion, have been observed as a function of tem-perature. The ethylammonium hexachlorometallates(IV) (C2H5 NH3)2 [MCl6], M = Sn, Te, show a phase transition at 128.8 K and 204 K, respectively. Both compounds yield a single resonance line in their high temperature phases. In case of the stannate this single 35Cl resonance line splits up into two lines at Tc = 128.8 K, whereas for the tellurate no 35Cl NQR signals could be found in the low temperature phase. A phase transition was also found for the 1.3-propylenediammonium hexa-chlorostannate(IV) at 287 K where the six line NQR spectrum of the low temperature phase changes into a four line spectrum. In contrast, the corresponding plumbate shows no transition. All other compounds studied contain distorted [MCl6]2- octahedra, and therefore they yield more than one 35Cl resonance line. The complexes have been investigated in the temperature range temperature where the lines fade out. In case of the hexachlorostannates(IV) with the ethylammonium, the 1.3-propylenediammonium and the triethylammonium ions, the crystal structures of the compounds are known and compared with the results of the 35Cl NQR spectroscopy.
Augmented Plane Wave Study of Electric Field Gradients in Non-cubic Metals
Authors: Leiberich R. , Schmidt P. C. , Sahoo N. , Das T. P.
Published: February 2015

The electric field gradient (EFG) in body-centered tetragonal Indium metal and hexagonal closed packed Beryllium metal is calculated on the basis of a full potential scalar relativistic augmented plane wave procedure. The various contributions to the EFG in simple metals are discussed. The total EFG in In metal found theoretically is equal to qtheor = 2.67 x 1021 Vm-2 . This value agrees well with the experimental data. Using the quadrupole moment Q deduced from the hyperfine splitting of the muon X-ray spectra one gets g exp = 2.46 x 1021 Vm-2 . The valence electrons of Indium give a direct contribution of qel = 2.72 x 1021 Vm-2 , whereas the direct ionic contribution q ion is much smaller and has opposite sign: qion = -0.01 x 1021 Vm-2 . There is a small net shielding contribution of qsh = -0.03 x 1021 Vm-2 to the EFG composed of the ionic contribution gsh. ion = -0.39 x 1021 Vm- 2 and the valence electron contribution qsh,ve = 0.36 x 10 21 Vm-2 .
Temperature Dependence of the NQR Frequency and Linewidth of the High-J c Superconductor YBa 2 Cu 3 0 7 _ 5
Authors: Riesemeier H. , Pattloch J. , Scheidt E.W. , Schaefer M. , Lüders K.
Published: February 2015

For YBa2Cu3O7-δ a powder samples of different average grain sizes the temperature dependences of 63Cu NQR frequencies and signal intensities are reported for the Cu (1) site in a temperature range of 4 300 K. Both quantities show a non-monotonic behaviour in the vicinity of the superconduction transition temperature Tc . In the superconducting state the line shape of the NQR signal in zero-field depends on the strength of the dc magnetic field applied during the cooling-procedure. The resulting linewidth yields information about the internal trapped magnetic field.
63/65Cu- NQR Study of impurity-lnduced Magnetic Order in YBa2(Cu1-xMx)3O7 (M = Fe, Co)
Authors: Nakamichi Y. , Kumagai K. , Nakajima H. , Fujita T.
Published: February 2015

We have studied 63/65 Cu NQR at the Cu(l)-chain and Cu(2)-plane site of YBa2(Cu1-x Mx)3O7 (M = Fe, Co). The spin-lattice relaxation rate, T1
-1 , is enhanced at low temperatures and has in the Fe-system a peak at 2 and 4 K for x = 0.005 and 0.015, respectively. Below the peak temperatures the intensity of the Cu-NQR signal decreases rapidly. The results suggest that magnetic ordering of either Fe or Cu moments occurs without destroying the superconductivity below Tc on substituting Cu by magnetic ions.
The 181Ta Nuclear Quadrupole Interaction in the Charge Density Wave Phases of 1T-TaS2
Authors: Ganal P. , Butz T. , Lerf A. , Naito M. , Nishihara H.
Published: February 2015

With a high resolution time differential perturbed angular correlation spectrometer we investigated the nuclear quadrupole interaction of Ta in 1T-TaS2 . The results obtained for the commensurate charge density wave phase lead to a revised assignment of the previously observed 181Ta NQR resonances. Differences in the intracluster architecture of the 13-atom Star of David cluster between 1T-TaS2 and 1T-TaSe2 could be responsible for the metal to semiconductor transition which occurs in lT-TaS2 but not in lT-TaSe2 .
Activation Energies for Fluxional Behavior in Aryl(pentachlorocyclopentadienyl)mercurials, η1 -C5Cl5 HgR, from 35Cl NQR Relaxation Times
Authors: Weiden Norbert , Weiss Alarich , Wulfsberg Gary , Ilsley William , Ilsley William , Benner Kevin , Wourster William
Published: February 2015

Solid-state activation energies for fluxional behavior in three aryl-subsituted (pentachlorocyclo-pentadienyl)phenylmercury compounds RHgC5 Cl5 : (pentachlorocyclopentadienyl)(pentamethyl-phenyl)mercury (I, R = C6 (CH3)5 , Eact = 19.3 kJ mol-1); (pentachlorocyclopentadienyl)(2,4,6-tris-(terf-butyl)phenyl)mercury (II, R = 2,4,6-C 6 H 2 (C(CH3)3)3 , Eact = 59.5 kJ mol-1); and (pentachloro-cyclopentadienyl)(phenyl)mercury (III, R = C6H5 , E act = 62.8 kJ mol-1) have beeb obtained from 35Cl NQR spin-lattice relaxation-time measurements. II has also been shown to be fluxional in solution by 13C NMR spectra. II was prepared by an exchange reaction between Hg(C5Cl5)2 and Hg(2,4,6-C6H2(C(CH3)3)3)2 , which reacted readily despite the great steric hindrance present in the latter reagent.
35Cl NQR Study of Guest Dynamics in Thiourea-CCl4 Inclusion Complex
Authors: Matsuo Takasuke , Sekii Masako , Suga Hiroshi , Nakamura Nobuo , Chihara Hideaki
Published: February 2015

35Cl nuclear quadrupole resonance measurements on thiourea-CCl4 inclusion complex yielded two resonance lines with intensity ratio 1:3. This indicates that the guest CCl4 molecule occupies the three-fold symmetry site in the channel formed by the thiourea framework. The resonance frequencies closely follow Bayer's equation between 4.2 K and 27 K. At higher temperatures the resonance lines faded out. This is attributed to the onset of reorientation of the CCl4 molecule. The activation energy for this motion was estimated to be 6 kJ mol-1 .
NQR Spectrometer with a Two Integrated Circuits Radio Frequency Head
Authors: Zikumaru Yushi
Published: February 2015

An NQR spectrometer has been constructed using two linear integrated circuits in its oscillator-detector. This is very simple and compact and works in range 3-65 MHz. The radio frequency voltage can be varied from 10 mVp-p to 15 V p-p by changing the supply-voltage of an integrated circuit μA 733. The utility of the spectrometer is demonstrated by recording 35Cl NQR spectra in p-C6H4Cl2 , NaClO3 , and KClO3 .
A Low-Temperature High-Sensitivity Field-Cycling Spectrometer for Quadrupole Double Resonance Spectroscopy
Authors: Khurshid M. M. P. , Zhenye F. , Smith J.A.S.
Published: February 2015

This paper discusses the design of a variable-temperature high-sensitivity field cycling spectrometer for nuclear magnetic resonance and nuclear quadrupole double resonance experiments. The instrument is capable of detecting N-14 quadrupole resonance signals from samples as small as 0.1 g down to temperatures of 150 K. The magnetic field cycling is performed by mechanical transfer of the sample using a pair of switchable electromagnetic solenoids, in times of about 0.2 s.
Zeeman NQR Studies on Powdered Bromine Compounds Having Small η
Authors: Ege Osamu , Negita Hisao
Published: February 2015

The Zeeman NQR of 79 Br and 81Br in samples having relatively small r\ was studied on several bromine compounds which were in the powder or polycrystal state. The absorption lines were detected in the integral form by the bridge circuit. When a static magnetic field was applied, the line shapes were broadened and usually two dips appeared symmetrically at both sides of the zero field line. The values of η were estimated from the patterns of the dips. For compounds such as NaBrO3 , however, as expected no dips were observed.
Werner Heisenberg's Ideas on Particle Physics in the Light of Recent Achievements
Authors: Bleuler Konrad
Published: February 2015

Dedicated to Hans-Peter Dürr on the occasion of his 60th birthday W. Heisenberg's unconventional -at his time even revolutionary -ideas on "elementary" particles are reviewed -or, better, rediscovered -within the framework of present day gauge-and string-theories.
Self-Organization in Three-Dimensional Hydrodynamic Turbulence Self-Organization in Three-Dimensional Hydrodynamic Turbulence
Authors: Knorr G. , Lynov J. P. , Pécseli H. L.
Published: February 2015

The three-dimensional incompressible Euler equations are expanded in eigenflows of the curl operator, which represent positive and negative helicity flows in a particularly simple and convenient way. Four different basic types of interactions between eigenflows are found. Two represent an "inverse cascade", the interaction familiar from the two-dimensional Euler equations, in which only modes of the same sign of the helicity interact. The other two interactions mix positive and negative helicity modes. Only these interactions can transport all of the available energy to higher wave numbers. Initial conditions, which lead to the appearance of structures and self-organization, are discussed.
Localized Ideal and Resistive Instabilities in 3-dimensional MHD Equilibria with Closed Field Lines
Authors: Correa-Restrepo Dario
Published: February 2015

A class of stability criteria is derived for MHD equilibria with closed field lines. The destabilizing perturbations have finite gradients along the field and are localized around a field line, the localiza-tion being stronger on the pressure surface than in the radial direction. By contrast, in sheared configurations the localization is comparable in both directions. The derived stability criteria are less stringent than those obtained for MHD equilibria with shear for similarly localized perturbations in the limit of low shear. These results, obtained from the energy principle, are a particular case of those obtained by solving the linearized resistive MHD equations with an appropriate ansatz and subsequently taking the limit of vanishing shear and resistivity.
Topological Studies on Heteroconjugated Molecules. VI. Alternant Systems with Two Heteroatoms
Authors: Gutman Ivan
Published: February 2015

The collective effects of two heteroatoms on the total π-electron energy, resonance energy and charge distribution of alternant conjugated molecules are examined. Three general rules for the signs of these effects are formulated. All these rules are shown to have a common origin and are conse-quences of certain mathematical properties of graph propagators.
Modeling of High-Signal Electrostriction. I
Authors: Cieminski J. von
Published: February 2015

A thermodynamical calculation of high-signal electrostriction, especially of ferroelectric materials, is proposed. It permits to model the high-signal electrostriction of the paraelectric and the funda-mental switching behaviour of the ferroelectric phase. Extraordinary high-signal deformation curves can be explained, the influence of the thermodynamical coefficients can be estimated and the order of phase transitions can be determined experimentally from the high-signal deformation curves.
Investigation of the Microwave Spectrum of Cyclopropyl Isocyanate. An Example for the Failure of Centrifugal Distortion Theory
Authors: Heldmann C. , Dreizler H.
Published: February 2015

The vibrational ground state microwave spectrum of cyclopropyl isocyanate was investigated in the region from 8.4 to 40 GHz by microwave Fourier transform (MWFT) spectroscopy. The quadru-pole hyperfine structure was resolved and assigned. The quadrupole coupling constants are given. With respect to the data given in the literature up to now, this work led to a more profound description of the pure rotational spectrum. Furthermore, some interesting and surprising results concerning the effect of centrifugal distortion are presented. Compared to hitherto existing investi-gations, these results indicate a more complicated conformational behaviour of cyclopropyl iso-cyanate.
The Microwave Spectrum and Dipole Moment of Hexafluoropropanone
Authors: Grabow J.-U. , Heineking N. , Stahl W.
Published: February 2015

We recorded the microwave spectrum of hexafluoropropanone between 7 and 15 GHz using a pulsed molecular beam microwave Fourier transform spectrometer. The rotational constants were determined to be A = 2181.71980(14) MHz, B= 1037.22930(7) MHz, C = 934.89233(8) MHz, the quartic centrifugal distortion constants are D'J= 0.07378 (39) kHz, D'JK = 0.10002(75) kHz, D'K = -0.07269(266) kHz, δ'J = 0.00623(29) kHz and R' 6= 0.00755(12) kHz. Stark effect measurements yielded a dipole moment μ = μb= 0.3949 (18) D
Passage from Einsteinian to Galilean Relativity and Clock Synchrony
Authors: Ghosal S. K. , Nandi K. K. , Chakraborty Papia
Published: February 2015

There is a general belief that under small velocity approximation. Special Relativity goes over into Galilean Relativity. Should this be interpreted exclusively in terms of the kinematical symmetry transformations (Lorentz vs. Galilei) a misconception could easily arise that would stem from overlooking the role of conventionality ingredients of Special Relativity Theory. It is observed that the small velocity approximation cannot alter the convention of distant simultaneity. In order to exemplify this point further, the Lorentz transformations are critically compared, under the same approximation, with two other space time transformations, one of which represents an Einstein world with Galilean synchrony whereas the other describes a Galilean world with Einsteinian synchrony
Substituent Effects on the Luminescence of 2-Substituted 3-Methylquinoxalines in Poly (Vinyl Alcohol) Films*
Authors: Gryczyński Z. , Kawski A.
Published: February 2015

The effect of 2-substitutions (NH2 . O, CH3O, CI. Br) in 3-methylquinoxalines on the fluorescence and phosphorescence band position and intensity at 293 K, and the temperature dependence of their fluorescence and phosphorescence quantum yields were investigated in polyvinyl alcohol) films
X-Ray Diffraction Studies on Ternary MgCl2-KCI-H2O and MgCI2-CsCl-H2O Solutions Saturated with the Corresponding Double Salts
Authors: Waizumi Kenji , Tamura Yusuke , Masuda Hideki , Ohtaki Hitoshi
Published: February 2015

X-ray scattering measurements have been done on aqueous MgCl2-KCl and MgCl2 CsCl solutions saturated with their double salts of MgCl2• KCl • 6 H2O and MgCl2 • KCl • 6 H2O respectively, at 293 K. The Mg2+ ion was found to be coordinated with six water molecules at an Mg-O distance of 209 and 208 pm, respectively, whereas K+ and Cs+ ions were surrounded by both water molecules and chloride ions in the first coordination sphere. The interatomic distance between the alkali cation and the chloride ion was 320 pm and 339 pm for K+ and Cs+ , respectively, and the coordination numbers of K+ and Cs+ with respect to CP were 2.4 and 2.0, respectively. The alkali metal H20 distance and the hydration number of the cation were 277 pm and 3.7, respectively, for K+ and 315 pm and 4.7, respectively, for Cs+ . The structures of the solutions are discussed in connection with the nucleation processes of the salts from the aqueous solutions
Gas Phase Cluster Formation of Sodium Chloride and Water: Monte Carlo Simulations
Authors: Rode Bernd M.
Published: February 2015

Monte Carlo simulations of a system of 200 water and 24 NaCl molecules at 6 different densities in the range from 0.003 g/cm3 to 0.999 g,/cm3 and T = 125 °C and 225 CC were performed to obtain some insight into cluster formation which should precede and determine the formation of aerosol structures and has possibly played some role in prebiotic atmosphere chemistry. Solute hydration occurs already at very low concentrations mainly in the form of hydrated molecules ("contact ion pairs"). At higher densities larger cluster structures are observed, leading rather continuously to the structure of the supersaturated 7.1 M NaCl solution at the same temperature. Radial distribution functions, coordination numbers and particle interaction energies are discussed with respect to the simulation parameters density and temperature
79Br and 127І Nuclear Quadrupole Resonance Investigations of Ortho-Substituted Anilinium Halides, 2-RC6H4NH3
⊕ X⊖ with X = Br, I and R = CI, CN, C2H5, NH2, and NH3
⊕ X⊖
Authors: Hartmann Jutta , Weiss Alarich
Published: February 2015

The 79Br and 127I nuclear quadrupole resonance, NQR, spectra of ortho-substituted anilinium bromides and iodides 2-RC6H4NH3
⊕ X⊖ with X = Br, I and R = CI, CN, C2H5, NH2, and NH3
⊕ X⊖ have been investigated in the temperature range 77 < T/K <420. Phase transitions occur in 2-(C2H5)C6H4NH3
⊕ Br⊖ ½H2O at Tc= 164 K. in 2-(C2H5)C6H4NH3
⊕ I⊖ at Tc = 214 K, in [1,2-C6H4(N(H,D)3)-]2⊕[Br⊖]2 at Tc = 209 K, and in [1,2-C6H4(NH3)2]2⊕[I⊖]2 at Tc = 173 K. The NQR data are discussed and compared with NQR spectra of para-substituted anilinium halides
The Specific Heat of Liquid Metals
Authors: Khanna K. N. , Quayoum Abdul
Published: February 2015

The specific heat of liquid metals is calculated using a fluid of Percus-Yevick plus tail as a reference system together with the Cumming potential in a random-phase approximation. It is shown that the improved semi-empirical hard sphere direct correlation function proposed by Colot et al. leads to a drastic improvement of Cp values over the HS model
Internal Rotation Fine Structure in the Microwave Spectrum of cis-2-Butene
Authors: Meyer Michael , Vormann Kirsten , Dreizler Helmut
Published: February 2015

The rotational spectrum of cis-2-butene has been measured in the range from 5 to 40 GHz with microwave Fourier transform spectroscopy to determine internal rotation and centrifugal distortion parameters
Original Communications: The Parabola as an Equilibrium Plasma-Vaccum Interface
Authors: Kaiser R.
Published: February 2015

The free-boundary MHD equilibrium is considered in the case of plane symmetry and constant current profile. We present a global solution of the problem, given in terms of elementary functions, which shows a parabolic plasma-vacuum interface
X-Ray and Neutron Diffraction of Amorphous Nickel-Zirconium-Alloys as Prepared in Different Ways
Authors: Schultz L. , Lamparter P. , Steeb S.
Published: February 2015

The structure of amorphous NiχZr100-χ-alloys (Χ= 30, 31, 34, 63.7, and 65), which were produced by melt spinning (MS), mechanical alloying (MA), and sputtering (SP) was studied by X-ray- and neutron diffraction yielding structure factors, pair correlation functions, coordination numbers, atomic distances, and Warren-Cowley chemical short range order parameters. The atomic arrangement within the first coordination sphere is independent of the method of preparation while in the second and higher spheres it differs between the MS- and the MA-alloys on the one side and the SP-specimens on the other side. Thus one understands that some physical properties of the different specimens differ
The Microwave Rotational Spectra of l-Bromo-2,2- Difluoroethylene and the Bromine Nuclear Quadrupole Coupling Tensor
Authors: Oldag F. , Sutter D. H.
Published: February 2015

The first assignment of the vibronic ground state rotational spectra for F2C = CH 79Br and F2C=CH81Br is reported. Only μb-type transitions could be observed. This indicates, that the C F and C Br bond dipole moments are almost equal despite of the large difference in the Pauling electronegativities of the two halogen atoms. The complete quadrupole Br-coupling tensors including their orientation with respect to the molecular principal inertia axes could be determined and are discussed within the Townes-Dailey model. A partial ro restructure is proposed.
Properties of KSCN-rich Molten NaSCN-KSCN Mixtures
Authors: Iwadata Yasuhiko , Mochinaga Junichi , Igarashi Kazuo , Tajiri Koji , Asahina Tadashi , Kosaka Mineo
Published: February 2015

For molten (Na, K)SCN mixtures with more than 50 mol% KSCN the molar volume Vm,electrical conductivity, χ, refractive index n, surface tension γ and heat capacity CP were measured in dependence of composition and temperature, γ exhibited the minimum at ca. 70 mol% KSCN and Cp was 148 JK-1 mol-1 in the range of 413 to 471 K. The electronic polarizabilities of the ions in the molten state were estimated by the semiclassical Clausius-Mossotti equation