bluuebunny/crossref_metadata_2025 huggingface dataset:
On Racial Etiquette: Adrian Piper’s My Calling (Cards)
Authors: Marriott David
Published: February 2015

This essay discusses “My Calling Cards, Series 1#” by artist and philosopher Adrian Piper. It examines the notion of etiquette in her work more generally, and discusses why the question of xenia and xenophobia remains crucial to Piper’s art as well as to her Kantian aesthetics. The second half of the essay is taken up with the discussion of that aesthetics, and seeks to clarify Piper’s reading of race and aesthetics by means of a reading of Edmund Burke’s A Philosophical Enquiry into the Origin of our Ideas of the Sublime and the Beautiful (1757).
Zombie Apocalypse as Mindfulness Manifesto (after Žižek)
Authors: Goto-Jones Chris
Published: February 2015

An icon of horror, the zombie blunders with apparent mindlessness, bringing only contagion and chaos. It has lost its ego, its individuality, its reasoning self. It is a repellent vision of posthumanity. Mindfulness is a therapeutic practice rooted in the meditative traditions of Buddhism. Liberated from the stresses and anxieties of capitalist society, practitioners escape the demands of an ego driven to exhaustion by instrumental rationality. This essay explores the growing interest in mindfulness meditation and flourishing portrayals of the zombie apocalypse in contemporary societies to suggest a connection between these models of (post)selfhood.
Impacts of FTA Utilization on Firm Performance
Authors: Hayakawa Kazunobu
Published: February 2015

The international export and investment activities of firms have been widely studied by scholars. In particular, prior studies have focused on two main hypotheses about firms engaged in international activities such as exporting and investing abroad; namely, self-selection of more productive firms into international activities and learning-by-doing international activities. This paper is the first study that explores these hypotheses in regard to firms’ use of free trade agreements (FTAs). We first estimate the propensity score for firms’ use of FTA schemes, and find that larger firms are more likely to participate. Then, by conducting matching analysis using the propensity scores, we find that, at least in the short run, the use of FTAs does not change bilateral exports, bilateral imports and employment but does raise the share of local inputs.
The Electronic Spectrum and Structure of Tetrasulfur Dinitride
Authors: Palmer Michael H.
Published: February 2015

Ab initio configuration interaction calculations of the ground and singlet A′ and A″ excited states have been performed, with all possible single and double excitations from the 10 highest occupied orbitals to the lowest 17 virtual orbitals being included, the previous Cs symmetry molecular structure being used. Some of the states can be identified with excitation from individual occupied (SCF) orbitals to members of the virtual set, but some are not well represented by single configuration concepts. The results suggest that the three broad UV-spectral maxima observed in solution are not single excitations, but groups of excited states, with a total of 8 states. The closeness of some of these states makes positive assignment difficult. The most probable assignment is 455 nm (1 A″), 377 nm (2A″ + 1A′+ 2A′), ~ 277 nm (3A″ + 3A′), 232 nm (4A′ + 4A″).
Coulomb Complexing and the Solubilization of Oxides in Halide Melts
Authors: Blander M. , Nagy Z.
Published: February 2015

Coulomb attractions between polyvalent cations and anions in alkali halide melts lead to the formation of complex ions and to the solubilization of oxides of some cations by their halides. We have observed such solubilizations of Al2O3 in LiCl-KCl eutectic melts. In addition, we predict and observe the dissolution of a number of other oxides by AlCl3 in LiCl-KCl melts. We also predict that solubilization will be better in other halide solvents. Our results suggest possible new media for pyrometallurgy and chemical and electrochemical processes.
Fused Salt Concentration Cells with Transference Transport Numbers of Molten Alkali Chloride and Silver Chloride Mixtures
Authors: Conradt R. , Richter J. , Wettich H.
Published: February 2015

By emf measurements on concentration cells with silver electrodes the transport numbers of molten NaCl + AgCl, KCl + AgCl, RbCl + AgCl, and CsCl + AgCl have been determined over the whole concentration range at temperatures between 800 and 1075 K. All systems show an "inversion point" (equal cation mobilities), which shifts to higher silver chloride concentrations with higher temperatures. At high dilutions the diluted cation is always the less mobile one.
A New Class of Organic Luminophores With a Stilbene Chromophore: 3-Phenylmethylene-1(3H)-Isobenzofuranones
Authors: Nikolov Peter , Fratev Filip , Minchev Stoyan
Published: February 2015

A new class of luminophores with a stilbene chromophore, 3-phenylmethylene-1(3H)-iso-benzofuranones (BPH's), has been investigated. The fluorescence occurs in the region 26000-16000 cm-1, the maximal quantum yield being about 0.6. As a result of substitution or higher polarity of the solvent the ππ* state of the BPH's separates from the fluorescently inactive nπ* state.

The S0-S2 absorption transition of the BPH's results from an excitation which is practically localized in the stilbene fragment. The good linear correlation of the fluorescence and absorption maxima and O-O transitions in ethanol with the σp-Hammett constants has been used for an interpretation of the changes in the potential hyperfaces of S0 and S1 states.
Measurement of 1H Knight Shift and Magnetic Susceptibility in Compressed Powder Samples of TaH0.61
Authors: Baden W. , Weiss Alarich
Published: February 2015

Measurements of the Knight shift KH and the magnetic susceptibility of TaH0.61 on thin foils, prepared from TaH0.61 powder at high pressure, are reported. It is shown that the method leads to useful results and is applicable to brittle materials for which compact samples are not available. Both, KH and Χy , are given for the hydrides TaHx in the range 0 ≦ x ≦ 0.74.
Theoretische Untersuchungen zum Absorptionsverhalten von Hydroxyindolen / Theoretical Studies about the Absorption Spectra of Hydroxyindoles
Authors: Fabian Walter
Published: February 2015

The absorption spectra of hydroxyindoles are calculated by means of the PPP and INDO/S-CI methods. The results of the PPP calculations are analyzed in terms of molecular subunits using the parsorbital method, similarity measure and configuration analysis. These methods show that the electronic states of the hydroxyindoles are best described by fragmentation in indole + hydroxyl groups. On the basis of this fragmentation the bathochromic shift of the first absorption band of 5- and 6-hydroxyindole as compared to 4- and 7-hydroxyindole and indole itself can be explained by the contribution of the charge transfer configuration from the hydroxyl group to the locally excited indole state.
Influence of SF6 on the Broadening and Shift of the 535.0 nm Thallium Line
Authors: Lisicki E. , Bobkowski R. , Szudy J. , Wolnikowski J.
Published: February 2015

The pressure broadening and shift of the 535.0 nm Tl line resulting from the photodissociation of thallium iodide mixed with sulfur hexafluoride were studied at low densities using a Fabry-Perot interferometer. A linear variation of both the width and shift of the line with the SF6 density was found and the cross sections for the broadening and shift were determined.
Molar Volumes and Molar Excess Volumes of Molten Alkali Chloride + Silver Chloride Mixtures
Authors: Krekelberg A. , Merkens W. , Richter J.
Published: February 2015

Measurements of the densities (and with these of the molar volumes and the excess volumes) of the molten salt systems LiCl + AgCl, NaCl + AgCl, KCl + AgCl, RbCl + AgCl, and CsCl + AgCl as functions of composition and temperature from the liquidus curve up to 1200 K are reported. It is shown that a linear relation with the volume fraction fits the measured densities of the alkali chloride + silver chloride mixtures better than one with the mole fraction.
Discussion of the Two-Fermion Sector in a Unified Nonlinear Spinor Field Model with Indefinite Metric II
Authors: Stumpf H.
Published: February 2015

In unified field models all observable (elementary and nonelementary) particles are assumed to be bound states of elementary unobservable fermion fields. Such models are formulated by selfregularizing higher order nonlinear spinor field equations with indefinite metric. The latter needs a careful investigation of the corresponding state space, in particular with respect to bound states. Based on preceding papers the general analysis of the state space is further developed in the framework of a relativistic energy representation in Part I. In Part II this formalism is applied to bound states of the two-fermion sector for a simple model. By direct calculation it turns out that for very heavy masses of the constituent fields bound states with positive norm and small masses are possible, i.e., that the two-fermion sector allows a meaningful physical interpretation
On the Decomposition of Spinor Fields which satisfy a Nonlinear Higher Order Equation
Authors: Großer D.
Published: February 2015

A field theory which is based entirely on fermion fields is non-renormalizable if the kinetic energy contains only derivatives of first order and therefore higher derivatives have to be included. Such field theories may be useful for describing preons and their interaction. In this note we show that a spinor field which satisfies a higher order field equation with an arbitrary nonlinear selfinteraction can be written as a sum of fields which satisfy first order equations.
X-Ray Spectroscopic Studies on Fe40Ni38Mo4B18 Glassy Alloy During the Crystallization Process
Authors: Cocco G. , Enzo S. , Incoccia L.
Published: February 2015

X-ray absorption spectroscopic measurements carried out on Fe40Ni38Mo4B18 glassy alloy undergoing crystallization are examined and discussed. Some trends in agreement with local-order rearrangements revealed by more conventional approaches (RDF and SAXS) have been found.

Peculiar features effected in the EXAFS and XANES spectra by increasing temperature treatments, have been interpreted on the ground of different strength of boron interaction with Ni and Fe atoms.
Photochemistry of Nitracrine and its Analogues: Acridine Derivatives as Electron Donors
Authors: Biedrzycki J. , Błażejowski J. , Szychliński J. , Ledòchowski A.
Published: February 2015

Studies on the electron transfer in the excited state from electron donors: acridine, 9- aminoacridine and its derivatives, including nitracrine and its isomers, to CCl4 as a suitable electron acceptor, were undertaken. UV radiation (λ= 366 nm), absorbed only by acridine bases, generates CI- ions. The fluorescence quenching measurements indicate that no interaction appears between molecules of acridine bases in the excited singlet state and CCl4 molecule. A scheme of photochemical processes is proposed which assumes that the triplet state of the base molecule is the reactive one.
Nonlinear Evolution of External Ideal MHD Modes Near the Boundary of Marginal Stability
Authors: Rebhan E.
Published: February 2015

The nonlinear evolution of external ideal MHD-modes is determined from the equations of ideal MHD by employing a reductive perturbation method which uses a driving parameter for expansion. The reduction of the plasma equations is the same as for internal modes and was treated previously [1]. A main problem arising in addition for external modes is the reduction of the nonlinear boundary conditions. The set of reduced boundary conditions is obtained on the undisplaced boundary in the marginally stable equilibrium position. Another additional problem arises from the fact that the linear MHD operator is only selfadjoint for linear eigenmodes but not for the higher order mode corrections. This complicates the determination of nonlinear amplitude equations for the marginal mode which are obtained from solubility conditions. The amplitude equations are qualitatively the same as for internal modes. Quantitatively, the calculation of the coefficients in these is different. Explicit expressions for the coefficients are derived in full generality. The effect of higher order corrections to the nonlinear amplitude equations is discussed quantitatively for one of two possible cases and qualitatively for the other.
Phase Transition in 4-(CH3)C6H4NH⊕
3X⊖ (X = Br, I)
Authors: Bai V. Seshu , Weiss Alarich
Published: February 2015

By 79,81Br and 127I NQR spectroscopy 4-(CH3)C6H4NH⊕
3X⊖ , X = Br and I, and 4-(CH3)C6H4ND⊕
3I⊖ were studied in the temperature range 77 ≦ TK ⪅ 340. The three compounds experience phase transitions, most likely of higher order. Two reversible transitions are observed for the para-toluidinium iodide. 7~i-n being in the temperature range 247 ⪅ T/K ⪅ 258. TII ⇌ III in the range 174 ⪅ T/K ⪅ 179. The deuterated compound shows slight shift of the transition temperatures compared to the protonated one. whereas the 127I-NQR resonance frequencies are considerably lowered as is the nuclear quadrupole coupling constant. The asymmetry parameter η, however, increases through deuteration of the NH3 group. The room temperature phase of the iodide crystallizes with an orthorhombic space group (Pmmn or Pmn21, Z = 2). Temperature dependence of the 79BrNQR spectrum of p-toluidinium bromide indicates a phase transition near T = 281 K.
Bending of Acoustic Rays in a Spherically Symmetric Field — A Comparison with Sjödin's Approach
Authors: Nandi Kamal K.
Published: February 2015

The formula for the bending of acoustic rays in a fluid having a spherically symmetric inhomogeneity has been obtained without making use of Bouger's theorem. The resulting formula happens to be qualitatively similar to that obtained by Sjödin for the bending of light rays in an inhomogeneous ether. However, a particular difficulty (with a plausible way of resolution) in connection with the quantitative evaluation of the bending of acoustic rays has also been pointed out. In addition, some comments are made regarding the advantages of the adopted approach.
Deuterium Hyperfine Structure of Nitric Acid — 15N
Authors: Fliege E. , Dreizler H.
Published: February 2015

In this paper we present the determination of the deuterium quadrupole tensor of nitric acid D15NO3, performed with microwave Fourier transform spectroscopy applied to a gas sample in thermodynamic equilibrium. Hitherto molecular beam methods had to be used for similar investigations.
Photokinetische Untersuchungen an den photochromen Systemen der Dihydroindolizine
Authors: Bär R. , Gauglitz G. , Benz R. , Polster J. , Spang P. , Dürr H.
Published: February 2015

The dependence of partial photochemical quantum yields on temperature and light intensity was examined with two dihydroindolizines. Some nonlinear optimization procedures and least squares methods are used to solve the system of differential equations. The distinct influence of the competitive thermal reaction can be demonstrated for both photochromic systems by determination of thermodynamic and kinetic parameters.
Quantenchemische Rechnungen am Borin (Borabenzol)
Authors: Raabe Gerhard , Heyne Eberhard , Schleker Wolfgang , Fleischhauer Jörg
Published: February 2015

Although many Borinato-transition metal-complexes have been isolated after the first synthesis and characterisation of such a molecule in 1970, nobody succeeded so far in isolating the unsubstituted neutral ligand Borine (Borabenzene) C5H5B.

It is the aim of this theoretical investigation to find at least a partial answer to the question why the free borine should be a highly reactive molecule.

The results of semiempirical and ab-initio-calculations presented here show that the LUMO of the free and unsubstituted borine in contrast to benzene and pyridine should be a σ*-molecular orbital which causes pronounced σ-acceptor properties.
DSC and X-Ray Study on Gd2(MoO4)3
Authors: Flor G. , Berbenni V. , Marini A. , Massarotti V. , Riccardi R.
Published: February 2015

Lattice parameters and thermal expansion of the three crystallographic modifications (α, β and β') of gadolinium molybdate have been determined.

The α-β and β'-β transitions have also been investigated by means of DSC and DTA measurements.

For the first one a transition enthalpy of 7.5 ± 0.5 kcal/mol was evaluated, while it was observed that factors such as the thermal history, the particle size and the heating/cooling rate affect the peak areas of the second one.

The results can be explained on the basis of the model proposed by Jeitschko for the β'-β transition provided that the necessary kinetic aspects are taken into account.
Electrolytic Conductivity of Pure and Doped Molten Silver Chloride
Authors: Greening Giorgio G. W. , Weil Konrad G.
Published: February 2015

The electrolytic conductivity of pure molten silver chloride and of molten silver chloride doped with up to 2mole% of CaCl2, CdCl2, CsCl, LiCl has been measured in the temperature range 460°C to 620°C.

The changes in the conductivity of silver chloride when doped with ionic salts are found to be analogous to the conductivity changes found in binary alkali halide mixtures.
The Refined Structure of ThS2 and the Implications on the Superposition Model Analysis of ThS2: Gd3+ Spin Hamiltonian Parameters
Authors: Amoretti G. , Calestani G. , Giori D. C.
Published: February 2015

The crystal structure of ThS2 has been refined starting from single crystal diffractometry data. The accurate determination of the positional parameters allows us to reexamine the SPM analysis of the second degree crystal field parameters for Gd3+ in ThS2 matrix. The fitting of the EPR data is still possible by means of a suitable two exponents power law for the intrinsic parameter only if the substitutional Gd3+ ion displaces in the mirror (bc) plane with respect to the undistorted Th4+ site. The resulting increase of the mean metal-ligand distances agrees with the expected expansion of the ligand cage around the trivalent Gd ion. The applicability of the proposed method to examine the impurity induced distortions in an host crystal is discussed too.
Integrability of Non-KAM Hamiltonians
Authors: Salat A.
Published: February 2015

The integrability of Hamiltonians of the type H(P1, P2, Q1, Q2) =

Pi ·Gi (Q1, Q2), Gi 2 π-periodic in Q1, Q2, is investigated numerically and analytically. With Gi = ωi + Fi (Q1, Q2) and = H0 =

ωi + Pi, the unperturbed frequencies ωi = ∂H0/∂Pi, are independent of the momenta, and KAM theory cannot be applied. Surface of section plots and Fourier analysis of orbits reveal that "most" Hamiltonians are integrable. Possibly non-integrable Hamiltonians do not show "island plus ergodic region" structure but sequences which tend towards infinity. No theory is available to distinguish completely the classes of integrable and non-integrable functions Gi(Q1,Q2). In such a theory the problem of "small denominators" would play an essential role just as in KAM theory.
Ein einfaches Inkrementenverfahren zur Bestimmung der Ladungen in nichtaromatischen Molekiilen
Authors: Schleker Wolfgang , Schmidt Burghard , Mertens Wilhelm , Fleischhauer Jörg
Published: February 2015

The Chester-Chisnell-Whitham equations in Cartesian and polar coordinates are written out for the two-dimensional case. The solution expanded near a point is obtained. The asymptotic solutions of order 2 near focus are presented. Linear small perturbation analysis for a converging cylindrical shock is given. To study the development of perturbations numerical solutions are carried out.
14N Nuclear Quadrupole Coupling in Glycyl-Glycine and Related Peptides
Authors: Palmer Michael
Published: February 2015

An ab initio calculation of double zeta quality on glycyl-glycine at the crystal structure yielded nuclear quadrupole coupling constants at the peptide centres very close to experiment; Xzz -3.03, Xyy +2.14, Xxx +0.89 MHz. The first two couplings lie in the local π-direction, and along the C-N bond, respectively. At the NH⊕3 centre the values were less satisfactory, but the (low) positive value of Xzz was obtained, and lies relatively close to the N-C bond. The results suggest that similar calculations may be successful for other H-bonded systems, provided that aromatic systems are not involved.
Note on the Influence of External Heavy-Atom Perturbers on the Phosphorescence Spectrum of Triphenylene
Authors: Zander M.
Published: February 2015

Spectral changes in symmetry-forbidden phosphorescence spectra observed in the presence of external heavyatom perturbers may have quite different causes depending on the chemical nature of the perturber. This is exemplified using triphenylene as the phosphorescent compound and methyl iodide and silver Perchlorate respectively as the perturber. Intensification of the 0-0 band of the symmetry-forbidden phosphorescence spectrum of triphenylene by silver Perchlorate is assumed to result from symmetry-reduction of the hydrocarbon by ground-state complex formation with silver Perchlorate.
The Absorption Behavior of Water and Some Organic Liquids in the Near Infrared Studied by Photoacoustic Spectroscopy
Authors: Haas U. , Seiler H.
Published: February 2015

The optical absorption of water and some organic liquids [CH3OH, CH3OD, CD3OD, C2H5OH, C4H9OH, (CH3)2CO, (C2H5)2O and C6H6] has been investigated in the near infrared by photoacoustic spectroscopy. Characteristical absorption bands of combinations and overtones of strong infrared fundamental vibrations are observed and can be used for qualitative analysis of these liquids. The amplitude of the photoacoustic signal shows an f-1-dependence of the modulation frequency f of the incident light for all absorption signals, except for the hydroxyl absorption bands of water and the alcohols. The deviation of the expected frequency dependence points to a modification of the liquid structure toward the surface of the liquid-gas boundary.
Elementary Derivation of the Dirac Equation. X
Authors: Sallhofer Hans
Published: February 2015

Final considerations of the isomorphism between electrodynamics and wave mechanics.
The Electromagnetic Rocket Gun Impact Fusion Driver
Authors: Winterberg F.
Published: February 2015

An impact fusion driver is discussed which has the potential to accelerate a rocket-like small metallic projectile by a travelling magnetic wave to a few 100 km/sec over a reasonable distance. The propellant removes the heat produced in the projectile by resistive losses of the induced electric currents, and is thereby ejected from the projectile at a modest temperature. After having left the projectile, the propellant is shock-heated by the strong magnetic field of the travelling magnetic wave to high temperatures forming a high velocity jet. The total thrust on the projectile is the sum of the magnetic and recoil forces. In comparison to a rocket, the efficiency is much larger, with the momentum transferred to the gun barrel rather than to a tenuous jet.

To reach impact fusion velocities the accelerator would be a few 100 m long.
Triangulation of the Lowest Energy Sheet for Jahn-Teller Potential Energy Surfaces
Authors: Fernández Ariel
Published: February 2015

The topology of the lower energy sheet for the Potential Energy Surface corresponding to the dynamic Jahn-Teller effect is obtained by means of homological techniques.
Geometry of the SU (2) Di-Meron Solution
Authors: Brucker R. , Sorg M.
Published: February 2015

The geometric properties of the di-m eron solution to the SU (2) Yang-Mills equations are studied in detail. The essential geometric structure of this solution is that of a locally symmetric space endowed with a Riemannian structure which is conformally flat. The di-meron solution is representable by an integrable 3-distribution over Euclidean 4-space. The corresponding integral surfaces are obtained in analytic form.
11B and 10B NMR Investigations in Aqueous Solutions
Authors: Balz R. , Brändle U. , Kämmerer E. , Köhnlein D. , Lutz O. , Nolle A.
Published: February 2015

11B NMR chemical shifts and linewidths have been measured in very dilute aqueous solutions of boric acid and borates. The results can be explained bv taking pH dependent weighted averages over the species B(OH)3 and B(OH)4
−. The11B−10B primary isotope effect on the magnetic shielding is smaller then 3 · 10-8. The H2O - D2O solvent isotope effect on T1 has been established for 11B and 10B in the species mentioned, and from the ratios of T1 the quadrupolar origin of the relaxation mechanism has been inferred.
Copper Isotope Separation by Ion Exchange Electromigration and Copper Isotope Analysis by Thermo-Ionization Mass Spectrometry
Authors: Fujii Y. , Hosoe M. , Okamoto M.
Published: February 2015

The separation coefficient of copper isotopes, 63Cu and 65Cu, in the electromigration process through cation exchange m em brane was experimentally determined as 3.2 x l0- 4. The appropriate heating condition of low ionizing filament current for thermo-ionization mass spectrometry was developed and this method was applied to the copper isotope analysis in the present work.
Notizen: Remark on the Off-Diagonal Rotational g-Tensor Elements in Asymmetric-Top Molecules
Authors: Vacherand J. M. , Demaison J.
Published: February 2015

The isotopic dependence of the g-tensor of an asymmetric top molecule is investigated. A relationship is proposed which may be used to determine the g-tensor for isotopic species without measurements.
Low Energy Electron Stimulated Emission of Neutral Particles from (100) Surfaces of KCl
Authors: Pickuth Andreas , Legier Werner
Published: February 2015

An investigation of emission of neutral particles, especially K and Cl2 by irradiation of KCl (100) surfaces with low energy electrons. The dependence of emission rates on beam current, beam energy, and sample temperature is discussed on the basis of the Pooley model extended by Townsend et al. The rise of emission rates for electron energies above ≈ 190 eV indicates the opening of an additional emission channel, which may involve the 2p-level of Cl. Furthermore, the observed electron stimulated formation of COK shows the availability of elementary K on the electron irradiated KCl surface.
Lyapunov Stability and Attractors of Some Systems of Nonlinear Oscillators
Authors: Tasso H.
Published: February 2015

Lyapunov functions valid in the greater part of phase space were found for a system of nonlinear oscillators of an extended Van der Pol type. They yield a good estimate of the location of attractors. For a particular single oscillator the appropriately modified Van der Pol equation delivers an ellipse as limit cycle.
Polarized Low Temperature Luminescence of Single Crystal Pentacarbonylpyridinotungsten(0)-Complexes
Authors: Dillinger R. , Gliemann G.
Published: February 2015

Polarized luminescence spectra of single crystal W (CO )5-X (with X = pyridine, 4-methylpyridine, 4-t-butylpyridine, 3,4-dimethylpyridine, 4-am inopyridine, 3-acetylpyridine, 3,5-dibromopyridine, 3-benzoylpyridine, 4-formylpyridine) at low temperatures (1.9 K≦ T ≦ 80 K) are reported.

Depending on the nature of the pyridine substituent the emitting state is either a ligand field (LF) state or a metal to ligand charge transfer (CT) state. This results in drastic differences in both bandshape and temperature behaviour of the luminescence spectra. The CT-luminescence is structureless and is not influenced by temperature variation, whereas the LF-lum inescence spectra exhibit in most cases a distinct vibrational fine structure at low temperatures and show a remarkable temperature dependence.

The emission spectra of single crystal W (CO )5-3,4-dim ethylpyridine and W (CO )5-pyridine can be strongly influenced by magnetic fields (H ≦ 6 T).

The results are explained within a model assuming molecular C4v symmetry and regarding spin orbit coupling.
Homology of Potential Energy Surfaces
Authors: Fernández Ariel
Published: February 2015

It is shown that all the adjacency relations for the basins of attraction of stable chemical species and transition states can be derived from the topology of the pattern of intrinsic-reaction-coordinate- and-separatix trajectories in the nuclear configuration space.

The results are applied to thermal [1,3] sigmatropic rearrangements and they show that even the symmetry-forbidden path proceeds concertedly. The corresponding homological formulas giving the adjacency relations are derived.
Electric Quadrupole Interaction of 111Cd in Semiconductors
Authors: Frank M. , Gubitz F. , Ittner W. , Kreische W. , Labahn A. , Röseler B. , Weeske G.
Published: February 2015

The time differential perturbed angular correlation technique was applied to study the electric

quadrupole interaction in various semiconductors. The quadrupole coupling of 111Cd in the InX
and In2X3 compounds (X = S, Se, Te) are reported.

In the orthorhombic InS we observed one quadrupole frequency which increases lineary with
temperature. The behaviour is the same in InTe. In InSe, however, the electric field gradient
(EFG) scales with a T3/2
power law, well known from former investigations in metals and semimetals.
The strength of the interaction decreases from InS to InTe.

The In2X3 semiconductors show several modifications. In2S3 exists in three phases and has
been investigated in the temperature range 25 K ≤ T ≤ 1200 K. In β-In2S3 (stable up to 693 K)two interaction frequencies have been observed. The high temperature modification γ-In2S3
shows one EFG. In cubic α-In2S3 no EFG could be measured. In2Se3 exists in four modifications.
The different phases and transition temperatures are not definite yet. In the β-phase (stable
between 473 K and 823 K) we observed two energetically equal structures with different interaction
frequencies. Such a case has not yet been reported. In2Te3 has been investigated in the
β-phase only. The observed interaction is temperature independent. While in metals and semimetals
most data can be well described by a T3/2 -dependence, semiconductors show different
results.
Nuclear Quadrupole Interaction of Alkali-Metal Atoms Adsorbed on Metal Surfaces
Authors: Fick D. , Horn B. , Koch E. , Memmert U.
Published: February 2015

A new technique is discussed for probing microscopic details o f surface charge distributions

using beams o f thermal-velocity nuclear-spin-polarized atoms. The technique has made possible
one o f the first spin-relaxation and the first nuclear-spin-resonance experiments on single-crystal
metal surfaces.
(CH3)3CCOOSbCl4: Structure Determination by Zeeman Perturbed NQR
Authors: Garcia Maria L. S. , Lucken Edwin A. C.
Published: February 2015

A single crystal of tetrachloro(0,0-pivaloylato)antimony(V) has been studied at 77 K, by

Zeeman perturbed
35Cl NQR, using a FT-NQR pulsed spectrometer. The four lines at zero-field, ν1 = 27.6468, ν2
= 27.3070, ν
3
= 25.7341 and ν
4
= 25.3438 MHz yield eight EFG tensors in the
magnetic field, related by a twofold symmetry element in the crystal. The corresponding
asymmetry parameters are η1, = 0.134, η2 = 0.13, η
3
= 0.07, and η4 = 0.09. The molecular structure
deduced from the relative orientations of the principal Z-axes of the EFG tensors confirms that the
higher quadrupole coupling constants are associated with the chlorine atoms in equatorial positions,
relative to the plane of the organic ligand, as predicted from NQR powder studies. It is concluded
that the crystal structure is monoclinic with two (class m or 2) or four (class 2/m) molecules
per unit cell. The molecular packing is such that the planes formed by equatorial or axial chlorine
atoms are approximately at right angles to their symmetry related images.
35Cl NQR Spectra of SnCl4 Complexes with Methylaryl Ethers
Authors: Lazarev Igor M. , Dolgushin Gennadii V. , Feshin Valentin P. , Voronkov Michail G.
Published: February 2015

SnCl4 Complexes with methylaryl ethers and their 35Cl NQR spectra have been obtained. All these complexes, except SnCl4 · 1,2-(CH3O)2C6H4, have a trigonal-bipyramidal structure. The latter compound has an essentially distorted octahedral structure. One of the ligand oxygen atoms takes part in the formation of the SnCl4 complex with 1,3-, 1,4-(CH3O)2C6H4 and RNO2. These complexes have a trigonal-bipyramidal structure too.
Structural Phase Transition and Molecular Motion of p-Chlorobenzamide as Studied by the Temperature Variations of 35Cl NQR Frequencies, Chlorine Nuclear Quadrupolar Relaxation Times, and 1H Magnetic Dipolar Relaxation Times
Authors: Kubo Atsushi , Ikeda Ryuichi , Nakamura Daiyu
Published: February 2015

The temperature dependences of 35Cl NQR frequencies, 35Cl (37Cl) nuclear quadrupolar relaxation times (T1ClQ), 1H NMR absorption, and of 1H NMR relaxation times were observed for p-chlorobenzamide, p-ClC6H4CONH2 and its N-deuterated analog. The existence of three 35Cl NQR lines already reported was confirmed for the known low temperature phase below 316 K. A single sharp 35Cl NQR line was detected in the high temperature phase up to 447 K just below the melting point 451 K. At lower temperatures, three different 35Cl T1ClQ values attributable to the fluctuation of the electric field gradient due to rotational oscillation were observed. With increasing temperature, these T1ClQ decreased rapidly and yielded almost the same value immediately below Ttr suggesting the onset of a slow motion. The 1H T1, of the high temperature phase gave a T1, minim um and could be explained through the 180° flip motion of the phenyl ring with an activation energy o f 44 kJ mol-1.
A 35CL NQR Spin-Lattice Relaxation Study on the Motion of D4h Anions in [C(NH2)3]2PdCl4, [C(NH2)3]2PtCl4, and [C(NH2)3]AuCl4
Authors: Furukawa Yoshihiro , Nakamura Daiyu
Published: February 2015

The temperature dependence of 35Cl NQR spin-lattice relaxation times T1ClQ was observed for the crystal of the title complexes. For the Pd(II) and Pt(II) complexes, the log T1ClQ vs. 103 T-1 curves having gentle positive gradients at lower temperatures decreased sharply with increasing temperature from ca. 150 and ca. 130 K, respectively. This sharp decrease of T1ClQ can be explained by the C4 reorientation of the D4h complex anions with the activation energy Ea of 34 kJ mol-1 for the former and 29 kJ mol-1 for the latter complex. These values agree well with those estimated from 1H T1 showing temperature dependent dipolar-quadrupolar cross relaxation. For the Au(III) salt, two of four 35Cl NQR lines showed a sharp decrease in T1ClQ from ca. 270 K, suggesting the onset of the C4 reorientation of the one kind crystallographically equivalent anions with Ea of 67 kJ mol-1.
Nitrogen and Deuterium Hyperfine Structure in the Rotational Spectra of Pyridine and [4-D] Pyridine
Authors: Heineking N. , Dreizler H. , Schwarz R.
Published: February 2015

We reanalysed the 14N hyperfine structure in the rotational spectra of pyridine and [4-D]- pyridine with higher precision and determined the D quadrupole coupling. It is intended to provide a reference for comparison with substituted pyridines.
Steric Effects in the Electronic Spectra of the 3,5-Diarylaminobenzene Derivatives
Authors: Balter A. , Nowak W. , Milart P. , Sepioł J.
Published: February 2015

Absorption and fluorescence properties, excited state lifetimes and fluorescence quantum yields were determined for a series of 3,5-diarylaminobenzene derivatives in solvents of different polarities. The role of the nitrile, methyl, phenyl and naphthyl substituents is discussed. Especially the steric effects on the spectroscopic behaviour of the investigated molecules are studied.
Kinetic and Mechanistic Studies of the Acid-Catalysed Hydrolysis of Ditert.-butyl Malonate in Dioxane-Water Media
Authors: Khalil Fayez Y. , Hanna Morcos T. , Asaad Adel N.
Published: February 2015

A kinetic investigation of the consecutive acid-catalysed hydrolysis of ditert.-butyl malonate in dioxane-water mixtures is given. The rate constants of the first and second hydrolysis steps decrease by addition of the organic solvent, and both steps proceed concurrently by AA11 and AAc2 mechanisms. The kinetic ratio kI/kII depends on the solvent composition. The results are compared with those obtained previously for ditert.-butyl succinate in many aspects such as rate, percentage AA11 fission and the role of the inductive as well as steric effects. The maximum concentration of the intermediate, halfester, decreases with decrease in the ionising power of the solvent and has nearly the same value for malonate and succinate in isocomposition media. The effect of the dielectric constant on the rate constant and the activation thermodynamic parameters are discussed.
Nitrogen Hyperfine Structure in the Rotational Spectra of Perfluoropyridine and Other Pyridine Derivatives
Authors: Heineking N. , Dreizler H.
Published: February 2015

We resolved and analysed the nitrogen nuclear quadrupole hyperfine structure (hfs) in the rotational spectrum of perfluoropyridine C5F5N. The results are discussed and compared with those of previously measured pyridine compounds.
Luminescence Properties of Some 4- or 5-Aminosubstituted Indan-1,3-Diones
Authors: Timtcheva I. , Nikolov P. , Minchev St. , Sofroniev N.
Published: February 2015

The photophysical characteristics of some 4(5)-amino-2-aryl- and 4(5)-amino-2-aryl-2-carboxymethyl-1,3-indandiones have been studied in solvents of different polarity at room temperature and at 77 °K. In contrast to the 2-arylindan-1,3-diones unsubstituted in the phthaloyl fragment, the compounds investigated are photostable and fluoresce in the region 25 000− 18 000 cm−1 with fluorescence quantum yields between 0.1 and 0.5.
Internal Mobilities in the Binary Molten System (Na, TI)NO3
Authors: Baluja Shipra , Habasaki Junko , Okada Isao
Published: February 2015

Internal mobility ratios of the cations in the molten binary system (Na, TI)NO3 have been measured with the Klemm method. From these values and available data on the densities and electric conductivities, the internal mobilities, b, of Na+ and Tl+ ions have been calculated. The Chemla effect occurs at high xTI (xTI: mole fraction of TINO3). At low xTI, bTI sharply decreases with decreasing xTI, which may be attributed to the free space effect.
Mechanism of the Photochemical Isomerization of Indan-Dions to Benzylidenephthalides
Authors: Timtcheva I. , Nikolov P. , Zechner J. , Getoff N. , Minchev St.
Published: February 2015

The photoinduced isomerization of 15 2-arylindan-1,3-diones and 5 2,6-diaryl-s-hydrindacene- 1,3,5,7-tetrones was studied. Spectroscopic data, quantum yields of final products and a probable processes of these compounds are presented.
Adsorption of Water as a Means to Remove Bulk Metastability of CsHSO4 and RbH2PO4
Authors: Baranowski Bogdan , Friesel Milan , Lundén Arnold
Published: February 2015

Differential scanning calorimetry (DSC) and thermogravimetry (TG) are applied to study the conditions required for CsHSO4 and RbH2PO4 to undergo phase transitions at 333 ± 1 K and 352 ± 3 K, respectively. It is demonstrated that water adsorption on the surface of metastable polycrystalline samples triggers their transition to the stable state. It is further shown that the transition of CsHSO4 only occurs if the water vapour pressure is sufficiently high. If the sample is prepared at 293 K this threshold is 6.3 ± 0.7 mm Hg. A correlation is found between the transition temperature and the water vapour pressure. While it has been reported recently that adsorbed molecules can cause phase transitions in the surface layer of a solid matrix, our results are the first well-established examples of a direct correlation between surface adsorption and bulk phenomena. There is a relation to an early idea of Schwab.
Why is G the Least Precisely Known Physical Constant?
Authors: Speake C. C. , Gillies G.T.
Published: February 2015

CODATA has recently published its readjustment of the fundamental physical constants and assigns a relative precision of 128 x 10-6 to G, the Newtonian constant of gravitation. Given that most of the other constants in physics have relative precisions of ~10-6 or better, we examine the reasons why the value for G remains so imprecise: The role of G in physics in general is considered and the most recent experimental determinations are examined. Constraints are given for perturbing effects in G measurements and a key result is that horizontal ground movements must be taken more carefully into account in future more precise terrestrial experiments.
Calculation of the Polarisability and Second Hyperpolarisability of Ferrocene, Fe(C5H5)2, Using the Extended CHF-PT-EB-CNDO Method
Authors: Waite J. , Papadopoulos M. G
Published: February 2015

The polarisability and second hyperpolarisability of ferrocene have been calculated using the CHF -PT -EB -CNDO method, which has been extended for the study of compounds containing transition metal elements. The computed polarisability value is in good agreement with experiment.
Determination of Quadrupole and Spin-Rotation Coupling in the Rotational Spectrum of Carbonylsulfide-33S and -17O
Authors: Merke Ilona , Dreizler Helmut
Published: February 2015

The quadrupole and spin rotation coupling constants are determined by analysis of the J = 0 - 1 and J = 1 - 2 transitions o f OC33S and 17OCS in natural abundance. The data are compared with those obtained from molecular beam electric resonance and very recent pulsed beam microwave Fourier transform spectroscopy.
Plasma Heating and Current Drive by LH Waves
Authors: Canobbio E. , Croci R.
Published: February 2015

The paper presents a general picture of LH wave propagation and absorption relevant to plasma heating and current drive experiments, which is based on a secular (in space) nonlinear effect due to the ponderomotive density change produced by the LH pump itself. It appears to be a suitable model for observations under a large variety of wave and plasma conditions, in their general trends, relevant scaling and absolute values, although there are no adjustable free parameters in the model. More specifically, the theory provides a unified explanation for the anomalously strong absorption of high-speed “slow” waves (thus solving the so-called LH “spectral gap” problem), observed both in current drive and heating situations, as well as for the existence, parameter scaling and absolute value of the actual density limits.
Molekülinterne Dipolorientierung und dielektrische Absorption in verdünnter Lösung bei Mikro-und Submillimeterwellen. IV.Chlormethyl-Verbindungen
Authors: Klages Gerhard
Published: February 2015

The dielectric loss of eight molecules with the polar group in aromatic bonds and three in aliphatic bonds has been measured in very dilute solutions of cyclohexane at 20 °C. The measurements have been made at microwave frequencies in the range 2 to 130 GHz and at five wave numbers in the range 8 to 85 cm-1 (generated by a pumped molecular laser). These measurements are supplemented using a Fourier transform spectrometre up to 300 cm-1. The dielectric loss spectra ε″(γ̄) have been separated into a number of absorption regions (three or four in the microwave area) using the two variable Mori formalism. The power absorption spectra α(γ̄) are fitted to the Lorentzian shapes in order to determine the FIR resonances.

The dielectric dispersion step determined from loss measurements contains the contributions from all orientational processes of the permanent molecular dipole moment. The distribution of relaxation times indicates that the polar group reorientates by a fast intramolecular rotational process in five of the eight aromatic molecules investigated. Furthermore these five substances show character­istic broad resonance centred at approximately 39 cm-1. In order to determine the influence of the other substituted groups, the components of the dipole moment parallel and perpendicular to the internal axis of rotation are calculated from the dispersion steps. The perpendicular component does contribute as well to the Debye relaxation according to the Budo model as to the Poley and FIR absorptions. The relative magnitudes of these contributions are rather similar in the five molecules. In two other molecules, the intramolecular orientational process plays a relatively minor role due to the steric hindrance by a neighbouring group. However in dichloro-o-xylene, the two neighbour­ing groups do not prevent the fast process except that the net dipole moment is significantly reduced. Again, due to sterichindrance, the aliphatic bonded group molecules do not exhibit the fast dipolar orientational process or the characteristic resonance at 39 cm-1.
Alternative Constraints in the Entropy Principle for Tokamak Profiles Applied to Cylindrical Plasmas
Authors: Pfirsch Dieter , Pohl Frank
Published: February 2015

The recently proposed variational principle called the "entropy principle" is now applied with alternative constraints to cylindrical plasmas. These alternative constraints are that the pressure balance relation and Ohm's law with Spitzer conductivity and constant electric field should persist during the variations, replacing the constraint of fixed relations between the plasma pressure and density profiles used in the previous work. This leads to a one-parameter family of slightly paramagnetic equilibria, the parameter being the internal plasma ß. The safety factor ratio is found to be about 2. The corresponding plasmas are close to isentropic and their profiles agree reasonably with Coppi's profile consistency formula for the temperature profiles. A modification of Coppi's formula greatly improves the agreement.
Diode-Laser Spectroscopyina Supersonic Free Jet: 1,1-Difluoroethyleneat Low Temperature
Authors: Wallraff P. , Winnewisser G. , Yamada K.M.T.
Published: February 2015

The infrared spectrum of 1,1-Difluoroethylene has been measured in a supersonic free jet by diode-laser spectroscopy in the wavenumber region between 921 and 928 cm-1 The low rotational temperature, 32(8) K, of the molecules in the jet simplified the spectrum substantially, allowing its identification in the band center region. Two different modes of jet-operation were used for the measurements: (1) a pulsed jet with a phase sensitive detection at the pulse frequency and (2) a continuous jet with frequency modulation of the diode-laser.
Amorphous Complexes MM (EDTA) (H2O)4 · 2H2O . LAXS and XPS Investigation of the Local Structure
Authors: Caminiti Ruggero , Roca Carmen Munoz , Beltran-Porter Daniel , Rossi Antonella
Published: February 2015

The amorphous MM (EDTA)(H2O)4·2 H2O (M = Ni,Co) substances are made up of infinite chains of alternating "hydrated" and "chelated" octahedra bridged by carboxylate groups: M(H2O)4 - M(EDTA)-M(H2O)4-... .

XPS enables to ascertain that the coordination of the EDTA ligand in the amorphous phase is identical to that in the crystalline phase, i.e., hexacoordination toward the M atom and two bridging groups in the Ni -Ni, Co - Co compounds.
Moment of Inertia Influence on Ion-Molecule Reaction Rates
Authors: Schuster R. , Stiller W.
Published: February 2015

The locked-dipole model for reactions between ions and polar molecules is modified by introducing the moment of inertia into the centrifugal term of the interaction potential. The resulting rate coefficients are compared with other models and experimental data.
Protium -Deuterium Fractionation Factors for Organic Molecules Calculated From Vibrational Force Fields
Authors: J. Vernon , Jr. Shiner , Neumann Thomas E.
Published: February 2015

New valence force fields have been calculated for forty-seven small organic molecules and used to calculate protium-deuterium fractionation factors. Factors for molecules of the type CH3X and HCOX have been found to correlate with the electronegativities of X and the CX bond lengths. The effects of cumulative substitution on a given C atom on the alpha CH fractionation factors have been examined. Some uses of the factors in mechanistic analysis are discussed.