bluuebunny/crossref_metadata_2025 huggingface dataset:
A Quantum Circuit Design for Grover’s Algorithm
Authors: Diao Zijian , Zubairy M. Suhail , Chen Goong
Published: February 2015

We present a circuit design realizing Grover’s algorithm based on 1-bit unitary gates and 2-bit quantum phase gates implementable with cavity QED techniques. In the first step, we express the circuit block which performs a key unitary transformation that flips only the sign of the state |11 · · · 11〉 using 1-bit and 2-bit gates. The Grover’s iteration operator can then be constructed using this key unitary transformation twice, plus other operations involving only 1-bit unitary gates on each qubit. Mathematical proofs are given to justify that the cricuiting satisfies the desired operator properties.
The Structure of Gallium Phosphate Glasses by High-energy X-ray Diffraction
Authors: Hoppe U. , Ilieva D. , Neuefeindb J.
Published: February 2015

X-ray diffraction experiments are used to obtain short-range order information of gallium phosphate glasses of meta- and pyrophosphate compositions. Parameters of the first-neighbor peaks, such as coordination numbers and distances, are obtained. A strong decrease of the Ga-O coordination number from 6.0±0.2 to 4.6±0.2 upon Ga2O3 addition is found, which is accompanied by a shortening of the Ga-O distances. Only GaO6 octahedra exist at the metaphosphate composition. Close to the pyrophosphate composition, the majority of Ga atoms occupies already tetrahedral sites. The Ga-O coordination number behaves equivalent with the ratio MTO = n(OT)/n(Ga), thus, with the number n(OT) of terminal oxygen atoms (OT) in phosphorus-OT bonds which are available for the coordination of each Ga atom. Thus, P-OT-Ga bridges are formed for all OT atoms. The GaOn polyhedra neither share OT atoms nor form Ga-O-Ga bridges. With increasing fraction of GaO4 tetrahedra and decreasing lengths of the phosphate chains the network expands.
Thermochromic Absorption, Fluorescence Band Shifts and Dipole Moments of BADAN and ACRYLODAN
Authors: Kawski A. , Kukliński B. , Bojarski P.
Published: February 2015

Using the thermochromic shift method of absorption and fluorescence bands, the electric dipole moments in the ground (μg) and excited (μe) state are simultaneously determined for BADAN (6-bromoacetyl-2-dimethylamino-naphtalene) and ACRYLODAN (6-acrylolyl-2-dimethylamino-naphtalene) in ethyl acetate. For these compounds the same ratio μe/μg = 2.9 was found, which is similar to that of PRODAN (6-propionyl-2-dimethylamino-naphtalene).

The estimated empirical Onsager radii afor BADAN and ACRYLODAN are the same, and they are somewhat smaller than the calculated geometrical values.
Simulation of the NMR Second Moment as a Function of Temperature in the Presence of Molecular Motion. Application to (CH3)3NBH3
Authors: Goc Roman
Published: February 2015

The method for simulating the second moment of the NMR absorption spectrum as a function of temperature is presented. The second moment is first calculated as a function of the number of jumps of rotating molecules or their parts (like methyl groups). This number of jumps is rescaled into the frequency of internal rotation and these frequencies are recalculated into equivalent temperatures. The relation between frequency of rotation, and temperature is established on the basis of the Arrhenius relation υc= υo exp (-Ea/RT). The described method is then applied to the analysis of molecular motion in trimethylamine borane (CH3)3NBH3. The proposed method is especially useful in the case of complex structures, where combined motions are possible, because the NMR second moment is much more sensitive to the geometry of motion than the magnetic relaxation times T1 or T1p usualy used in studies of the internal dynamics of solids.
Electron Spin of Gamma Irradiated Single Crystals of Methyl Glycinate Hydrochloride
Authors: Birey Mehmet
Published: February 2015

Two radicals, formed frum niethylglyuinateliyilrocliliiriile, C3H8CINO2, wysudb un inadhuiuii with 7 rays, have been identified as CH2CŌOCH3 and ĊŌOCH3.
Studies of EPR g-factors on Rutile (TiO2) with Co2+ Ion
Authors: Wu Shao-Yi , Zheng Wen-Chen
Published: February 2015

The anisotropic g-factors gx, gy , and gz for Co2+ in rutile crystal are studied from the secondorder perturbation formulas based on the cluster approach. In the studies, the contributions due to covalency effects, the configuration interaction and the rhombic crystal field are taken into account. The calculated values are close to the observed ones. The small discrepancy between calculation and experiment is discussed
Light Scattering from Glass-forming Molten Salts
Authors: Kalampounias A. G. , Papatheodorou G. N. , Yannopoulos S. N.
Published: February 2015

Raman scattering has been employed to study the temperature and polarization dependence of the vibrational modes for the glass-forming halide salt mixtures xZnCl2-(1-x)AlCl3, with x = 0.8 and 0.6. The analysis has shown that the vibrational modes of the mixtures arise from a contribution of the vibrational modes of the pure components salts. Emphasis has also been given to the low-frequency modes (3 - 80 cm-1), and particular points related to the glass transition phenomenology are discussed in view of the experimental findings.
Influence of Second Coordination Sphere on the Kinetics of Electrode Reactions in Molten Salts
Authors: Kuznetsov S. A. , Gaune-Escarda M.
Published: February 2015

The influence of the second coordination sphere on die electroreduction of hafnium complexes to hafnium metal and the redox reaction Eu(III)+e-⇔ Eu(II) in alkali halide melts was studied. It is shown that die large caesium cations in the melt reduce the transfer and the diffusion coefficients as well as the heterogeneous rate constants for charge transfer of harnitcn complexes. The standard rare constants for the europium redox reaction increase when going from NaCl-KCl to CsCl. The different influence of die second coordination sphere on the electrode reactions is explained by different limitation stages for electron transfer
Origin and Stabilization of Novel Single Phase Variant, Smectic-F Among nO.m Compounds
Authors: Pisipati Venkata G. K. M. , Kumar P. A. , Srinivasu Ch.
Published: February 2015

Smectic and comprehensive investigations on the phase transition studies of p-n-alkoxybenzylidene-p-n-alkyl anilines (nO.m’s) reveal the occurrence of direct smectic-F transition from isotropic liquid in higher homologues. We report the influence of terminal alkyl- and/or alkoxy-chain lengths on the manifestation and stabilization of this unique phase variant
Structure and Molecular Motions in Rubidium Tetraphenylborate
Authors: Pajzderska A. , Małuszyńska H. , Wa̡sicki J.
Published: February 2015

By X-ray diffraction it was found that at 293 K the crystals of rubidium tetraphenylborate are tetragonal, space group I42m, a = b = 11.212(2) Å, c = 8.098(2) Å , with 2 molecules of Rb+[C24H20B]- in the unit cell. The molecular reorientations as functions of temperature were studied by 1H NMR. Two types of motions were detected: an anisotropic reorientation of the tetraphenylborate anions about their mass centres, and small-angle reorientations / oscillations of the phenyl rings. The dependence of the potential energy of the anion in the crystal on the angle of the phenyl ring rotation about the B-Ph bond was obtained on the basis of atom-atom calculations. The dynamics of this compound was compared to that of tetraphenyltin.
Lithium Isotope Effect Accompanying Chemical Insertion of Lithium into Graphite
Authors: Hashikawa Satoru , Yanase Satoshi , Oi Takao
Published: February 2015

Lithiumwas chemically intercalated from 1-methoxybutane solution of lithiumand naphthalene into graphite and vice versa, and lithium isotope fractionation accompanying those intercalation and deintercalation processes was observed. 6Li was always preferentially fractionated into the graphite phase. The single-stage lithium isotope separation factor upon intercalation was about 1.023 at 25 ºC, nearly independent of the structure of the lithium-graphite intercalation compounds formed. A much smaller separation factor was observed for the deintercalation process, suggesting the existence of lithium sites (surface areas) other than the sites between graphene layers of the host graphite. Separation factor data were consistent with the following decreasing order of the 6Li-to-7Li reduced partition function ratio (RPFR): RPFR of 1-methoxybutane solution > RPFR of surface areas > RPFR of metal lithium > RPFR of graphene interlayer sites.
EPR of Gamma Irradiated Single Crystal of 2,2-Dimethyl Succinic Acid
Authors: Osmanoğlu Ş. , Başkan M. H. , Güner T.
Published: February 2015

We have observed the radical CHCH2 in the EPR spectra of α-irradiated single crystal of 2,2- dimethyl succinic acid.
Painlevé Integrability and Abundant Localized Structures of (2+1)-dimensional Higher Order Broer-Kaup System
Authors: Lin Ji , Li Hua-mei
Published: February 2015

It is proven that the (2+1) dimensional higher-order Broer-Kaup system the possesses the Painlevé property, using the Weiss-Tabor-Carnevale method and Kruskal’s simplification. Abundant localized coherent structures are obtained by using the standard truncated Painlevé expansion and the variable separation method. Fractal dromion solutions and multi-peakon structures are discussed. The interactions of three peakons are investigated. The interactions among the peakons are not elastic; they interchange their shapes but there is no phase shift
Estimation of the 35Cl NQR Frequencies of Some Organic and Organometallic Molecules Using ab initio Calculations at Different Levels and Basis Sets
Authors: Shlyapnikov Dmitry B. , Feshin Valentin P.
Published: February 2015

Ab initio calculations of organic and organometallic molecules at RHF, B3LYP and MP2 levels and 6-31G(d), 6-31+G(d), 6-311G(d) and 6-311+G(d) basis sets were executed. They were used to estimate the 35Cl NQR frequencies of these molecules. A satisfactory agreement between experimental and estimated NQR frequencies was obtained for the populations of the less diffuse 3p-components of the Cl atom valence p-orbitals obtained from the RHF, B3LYP and MP2 calculations with the split valence basis sets 6-31G(d) and 6-31+G(d). An analogous conformity was not obtained using the 6-311G(d) and 6-311+G(d) basis sets.
Statistical Theory of Elastic Constants of Cholesteric Liquid Crystals
Authors: Kapanowski Andrzej
Published: February 2015

A statistical theory of cholesteric liquid crystals composed of short rigid biaxial molecules is presented. It is derived in the thermodynamic limit at a small density and a small twist. The uniaxial (biaxial) cholesteric phase is regarded as a distorted form of the uniaxial (biaxial) nematic phase. The chirality of the interactions and the implementation of the inversion to the rotation matrix elements are discussed in detail. General microscopic expressions for the elastic constants are derived. The expressions involve the one-particle distribution function and the potential energy of two-body short-range interactions. It is shown that the elastic constants determine the twist of the phase. The stability condition for the cholesteric and nematic phases is presented. The theory is used to study unary and binary systems. The temperature and concentration dependence of the order parameters, the elastic constants and the twist of the phase are obtained. The possibility of phase separation is not investigated.
Relaxation and Resonance Absorption in Dielectrics
Authors: Makosz J. J. , Urbanowicz P.
Published: February 2015

An alternative approach to the dielectric relaxation and resonance absorption is proposed. Two assumptions were taken into consideration. One, that there exists a dielectric in which particular molecules have different freedom of motion. The other, that the value of the motion damping coefficient can be described by the distribution function. The obtained formula for the description of the experimental data of dielectric relaxation and resonance absorption measurements is presented.
Preliminary Studies on the Dielectric Permittivity in the Isotropic and Mesophase of Cholesteryl Oleyl Carbonate
Authors: Pawlus Sebastian , Zasada Malgorzata , Rzoska S. J.
Published: February 2015

The phase detection in cholesteryl oleyl carbonate was studied over a broad temperature range by dielectric spectroscopy. Tests were conducted in the static and the low frequency ionic regions. They point to the possibility of relatively simple detection of phase transition. Some manifestations of pretransitional behaviours were also found. - Pacs: 64.70Md, 77.22Ch, 64.30+t
Conductivities of Room Temperature Molten Salts Containing ZnCl2, Measured by a Computerized Direct Current Method
Authors: Hsu Hsin-Yi , Yang Chao-Chen
Published: February 2015

The conductivities of the binary room-temperature molten salt (RTMS) systems ZnCl2-N-nbutylpyridinium chloride (BPC), ZnCl2 -1-ethyl-3-methylimidazolium chloride (EMIC) and ZnCl2 - benzyltriethylammonium chloride (BTEAC) have been measured at different temperatures and compositions by a d.c. four-probes method. The conductivities of the three RTMS are in the order ZnCl2-EMIC > ZnCl2-BPC > ZnCl2-BTEAC. In ZnCl2-BPC the conductivity at 70 to 150 °C, is maximal for 40 mol% ZnCl2. In ZnCl2 - EMIC, the conductivity below 130 °C is almost constant for 30 to 50 mol% ZnCl2 and has the lowest activation energy 25.21 kJ/mol. For these two systems, the conductivities decrease rapidly beyond 50 mol% ZnCl2 owing to the rapid increase in cross-linking and resultant tightening of the polyelectrolyte structure. As to the ZnCl2-BTEAC system, the conductivities at 110 - 150 °C decrease slowly for 30 - 60 mol% ZnCl2. The conductivities of the ZnCl2-EMICmelt are compared with those of the AlCl3-EMIC melt previously studied. The stability of the ZnCl2-EMIC melt system is explored by the effect of the environment on the conductivity and the Far Transmission Infra Red (FTIR) spectrum. It reveals that the effect is slight, and that the ZnCl2-EMIC melt may be classified as stable.
On Kites, Comets, and Stars. Sums of Eigenvector Coefficients in (Molecular) Graphs
Authors: Rücker Gerta , Rücker Christoph , Gutman Ivan
Published: February 2015

Two graph invariants were encountered that form the link between (molecular) walk counts and eigenvalues of graph adjacency matrices. In particular, the absolute value of the sum of coefficients of the first or principal (normalized) eigenvector, s1, and the analogous quantity sn, pertaining to the last eigenvector, appear in equations describing some limits (for infinitely long walks) of relative frequencies of several walk counts. Quantity s1 is interpreted as a measure of mixedness of a graph, and sn, which plays a role for bipartite graphs only, is interpreted as a measure of the imbalance of a bipartite graph. Consequently, sn is maximal for star graphs, while the minimal value of sn is zero. Mixedness s1 is maximal for regular graphs. Minimal values of s1 were found by exhaustive computer search within the sample of all simple connected undirected n-vertex graphs, n≤10: They are encountered among graphs called kites. Within the special sample of tree graphs (searched for n≤20) so-called double snakes have maximal s1, while the trees with minimal s1 are so-called comets. The behaviour of stars and double snakes can be described by exact equations, while approximate equations for s1 of kites and comets could be derived that are fully compatible with and allow to predict some pecularities of the results of the computer search. Finally, the discriminating power of s1, determined within trees and 4-trees (alkanes), was found to be high.
Induced Smectic-G Phase through Intermolecular Hydrogen Bonding, Part XII: Thermal and Phase Behaviour of p-aminobenzonitrile: p-n-alkoxybenzoic acids
Authors: Kumar P. A. , Pisipati V. G. K. M. , Rajeswari A. V. , Sreehari Sastry S.
Published: February 2015

New liquid crystalline compounds involving intermolecular hydrogen bonding between mesogenic p-n-alkoxybenzoic acids (nABA) (where n denotes the alkoxy carbon number varying from propylto decyl- and dodecyl-) and p-aminobenzonitrile (ABN) are synthesized. The thermal and phase behaviour of these materials is studied by Thermal Microscopy and Differential Scanning Calorimetry. Adetailed IR spectral investigation in solid and solution states confirms the formation of H-bonding between cyano and −COOH groups of ABN and nABA, respectively. Comparative thermal analyses of both free p-n alkoxybenzoic acids and H-bonded complexes suggest the induction of smectic-G phase in all the complexes.
Molecular Ordering in Non-Liquid Crystalline versus Liquid Crystalline Materials with Special Reference to DADMBP – A Computational Analysis
Authors: Ojha Durga Prasad
Published: February 2015

DADMBP

A computational analysis of the molecular ordering of the non-liquid crystalline biphenyl derivative 4,4ʹ-diamino-3,3ʹ-dimethylbiphenyl () has been performed. The CNDO/2 method has been employed to compute the net atomic charge and atomic dipole components at each atomic centre. The modified Rayleigh-Schrödinger perturbation theory along with the multicentered-multipole expansion method has been employed to evaluate the long-range interactions, while a “6-exp” potential function has been assumed for short-range interactions. On the basis of stacking, in-plane and terminal interaction energy calculations, all possible arrangements of a molecular pair have been considered. It is found that, if a suitable functional group is attached to DADMBP, so that the length to breadth ratio is increased, the molecule will show a change in the long-range order, the phase transition temperature and other liquid crystalline properties. The results are compared with those for the liquid crystalline compounds 4-(4ʹ-ethoxyphenylazo)phenyl valerate (EPPV) and 4,4ʹ-di-n-propoxy-azoxybenzene (DPAB).
Destruction of the Spin Diffusion Barrier near Paramagnetic Impurities in Pure NQR
Authors: Furman G. B. , Goren S. D.
Published: February 2015

The double resonance process between nuclei inside and outside the spin diffusion barrier is considered. By applying two radiofrequency fields, both of the same amplitude, one rotating at the frequency ωS for nuclei inside of the diffusion barrier and one rotating at the frequency ωI for nuclei outside of the diffusion barrier, the Hartmann-Hahn condition will be reached, which results in conservation of the quadrupole energy in the spin diffusion process and destruction of the spin diffusion barrier. This technique can be used to detect NQR signals from nuclei near paramagnetic impurities.
Deuterium NMR and Raman Spectroscopic Studies on Conformational Behavior of Lipophilic Chains in the C12E3 / Decane / Water System
Authors: Tonegawa Akimitsu , Michiue Ayako , Masuda Takashi , Ohno Keiichi , Matsuura Hiroatsu , Yamada Koji , Okuda Tsutomu
Published: February 2015

The order parameter and the conformations of the lipophilic chains in the C12E3 / decane / water ternary system have been studied by deuterium NMR and C-D stretching Raman spectroscopy. The order parameter and the trans fraction of the C-C bond of decane molecules decrease steadily or remain nearly constant with increasing decane concentration without noticeable changes at the phase transitions. On addition of decanemolecules to the C12E3 /water system, the effective volume of the lipophilic part of a single surfactant molecule increases as a result of the penetration of the added decane molecules into the lipophilic layer, leading to a high mobility of the alkyl chain. To minimize the resulting increase in the effective cross-sectional area of a surfactant molecule, the molecular chains of the surfactant reorient remarkably in the concentration region near the phase transitions, and the shape of the self-organizing structure changes to the one with a larger packing parameter.
Change in Electronic Structure of the ICl–
2 Anion in NH4ICl2 Crystals due to an Excitation of Reorientational Motion of the Ammonium Ion
Authors: Asaji Tetsuo , Sekioka Maki , Suzuki Koh-ichi
Published: February 2015

Two 35Cl NQR frequencies, Va= 9.148 and Vb= 28.286 MHz, were observed at 77.3 K in NH4ICl2. Va and Vb showed a strong temperature dependence with positive and negative temperature coefficient, respectively. This anomalous temperature dependence is explained by a temperature dependence of the mole fraction of the hydrogen-bonded ICl-
2 ion. The energy difference, ΔEanion, of the anion between the hydrogen-bonded and the non-bonded states was derived as ΔEanion ≈ 700 K (5.8 kJ mol-1) and as ΔEanion ≈ 640 K (5.3 kJ mol-1) for NH4ICl2 and ND4ICl2, respectively. The temperature dependence of the spin-lattice relaxation time 1 showed a clear minimum in the ln 1 vs. 103K plots, which can be interpreted as due to EFG modulation by the reorientational motion of the ammonium ion. The reorientation of the ammonium ion among stable and meta-stable orientations is expected to be responsible to the temperature variation of electronic structure of the ICl-
2 anion.
Static and Dynamic Structures of InBrx (x = 1.4, 1.5, 1.75, and 2) Studied by 81Br NQR and 115In NMR
Authors: Yamada Koji , Mohara Hiroshi , Kubo Tomotaka , Imanaka Takashi , Iwaki Kazue , Ohki Hiroshi , Okuda Tsutomu
Published: February 2015

Structure and bonding properties of InBr
x
(In5Br7, In2Br3, In4Br7 and InBr2)were studied by 81Br and 115In NQR, and 115In NMR. The ethane-like [Br3InII-InIIBr3]2 anion was confirmed in In5Br7 or In2Br3 by 81Br NQR and the anion was characterized by the high quadrupole coupling constant at the 115In site (e2 Qq/h ≈ 350 MHz). On the other hand, In4Br7 showed successive phase transitions and was characterized as [InI]5[InIIIBr4]2[InIIIBr6] by means of 81Br NQR and 115In NMR below 370 K. A disordered structure at the cationic sublattice was supposed at Phase I above 370 K. NMR signals assigned to the InI could not be detected for the powdered sample, however, all quadrupole coupling constants ( e2Qq/h) and chemical shifts (δiso) could be determined using a single crystal. The InI sites show relatively large e2Qq/h and also show larger distribution of the chemical shift suggesting a diversity of the InI coordination similar to the isoelectronic main group elements such as SnII or SbIII .
2H NMR Study on Phase Transitions and Crystal Dynamics of p-Chloro- and p-Bromobenzyl Alcohols
Authors: Mizuno Motohiro , Hamada Masanori , Ida Tomonori , Suhara Masahiko , Hashimoto Masao
Published: February 2015

Two phase transitions of 4-chlorobenzyl alcohol (pCBA) and 4-bromobenzyl alcohol (pBBA), from the low-temperature phase (LTP) to the intermediate-temperature phase (ITP) and from ITP to the room-temperature phase (RTP), were investigated by 2H NMR and differential scanning calorimetry (DSC). The crystal dynamics in each phase were studied using the 2H NMR spectra, the spin-lattice relaxation time (T1) and the relaxation time of quadrupole order (T1Q) for the samples, where the hydrogen of the -OH group was selectively deutrated. The 2H NMR 1 of both crystals in the RTP were dominated by the fluctuation of the electric field gradient at 2H nucleus caused by vibrational motions of the -CH2OH group. In the LTP of both crystals, the fast jump of hydrogen atoms between the two sites corresponding approximately to the positions of the hydroxyl hydrogen atoms in the RTP and LTP were found from 2H NMR spectra. The results of T1 and T1Q in the LTP revealed that the jump of hydrogen atoms occurs in asymmetric potential wells and that these potential wells gradually approach symmetric ones with increasing temperature on the high-temperature side in the LTP
A 35Cl NQR Study on Exchange Interactions between Paramagnetic [IrCl6]2– Ions
Authors: Miyoshi Hiroshi , Horiuchi Keizo , Ikeda Ryuichi
Published: February 2015

The 35Cl and 37Cl NQR frequencies and spin-lattice relaxation times T1Q in paramagnetic M2IrCl6 (M = NH4, Cs) were measured at 4 - 350 K. The observed temperature dependences were attributed to EFG fluctuations caused by lattice vibrations and magnetic field fluctuations caused by paramagnetic ions. The exchange parameters in the NH4 and Cs salts were calculated from 35Cl NQR T1Q to be 8.6 K and 1.8 K respectively. 37Cl data yielded 9.1 K and 2.1 K respectively. The obtained lattice constant dependence of J values was explained by considering Ir-Cl Cl-Ir superexchange interaction
Dynamics of some n-Alkanes Adsorbed in the Micropore of (±)-[Co(en)3]Cl3 as Studied by 2H NMR
Authors: Nagaoka Naomi , Ueda Takahiro , Nakamura Nobuo
Published: February 2015

The dynamic behavior of n-hexane-d14 and n-decane-d22, adsorbed in the micropore of [Co(en)3]Cl3 crystal was studied by 2H NMR at 144 - 345 K. The quadrupole coupling constants (QCC) are 160 kHz for the methylene group and 60 kHz for methyl group below 144 K for hexane and below 178 K for decane, suggesting that the molecular reorientation about the molecular long axis is frozen below these temperatures. The QCC of CD2 group in hexane decreases from 160 kHz to 80 kHz on heating up to 170 K. Similar reduction of QCC of CD2 observed above 280 K for decane. Assuming the three-site jump model of the guest molecule about its molecular long axis, we reproduced the experimental spectrum, and obtained the rate of the molecular motion in each guest. The temperature dependence of jump rates leads to the activation energies for the molecular reorientation of 20 kJ mol-1 and 30 kJ mol-1 for n-hexane and n-decane, respectively, suggesting that the length of the guest molecule influences greatly its dynamics in the micropore
Substitution Effect in the Ion Conductor Li3InBr6, Studied by Nuclear Magnetic Resonance
Authors: Tomita Yasumasa , Yonekura Hiroshi , Yamauchi Yasuo , Yamada Koji , Kobayashi Kenkichiro
Published: February 2015

Li3-2x Mg InBr6 (x= 0.02 - 0.4) was synthesized, and the cation substitution effect on the conductivity was investigated by means of 7Li and 115In NMR, and X-ray diffraction.With increasing x the lattice constants a and c increased, but b and β did not show significant changes. The conductivity of the low temperature phase increased with x, associated with a narrowing of the 7Li NMR spectra. In the high temperature superionic phase, on the other hand, the conductivity decreased with x accompanied by a broadening of the 115In NMR spectra
Incommensurability and Domain Structure of K2SbF5
Authors: Panich A. M. , Zemnukhova L. A. , Davidovich R. L.
Published: February 2015

Phase transitions and incommensurability in K2SbF5 have been studied by means of 123Sb NQR spectra and spin-lattice relaxation measurements. The phase transitions occur at 117, 135 and 260 K. The line shape and temperature dependence of the spin-lattice relaxation time T1 at 135 to 260 K are characteristic for an incommensurate state with a plane wave modulation regime. At 117 to 135 K a distinct fine structure of the NQR spectra has been observed. The X-ray diffraction pattern of this phase is interpreted as a coexistence of two modulation waves along the a and b axis with wave vectors (a*/6 + b*/6) and (a*/2 + b*/2), respectively. The best interpretation that fits our NQR data is a coexistence of two domains, the structures of which are modulated with different periods in such a manner that each domain exhibits only one of the aforementioned modulation waves. Redistribution of line intensities with the variation of temperature shows that one of the domains becomes energetically preferable on cooling and is transformed into the low temperature phase at 117 K. The 123SbNQR measurements in K2SbF5 show unusually short values of T1, which become close to the spin-spin relaxation time T2 with increasing temperature. - Pacs: 61.44.Fw, 64.60, 64.70, 64.70.Rh, 76.60
The Temperature Dependences of 123Sb NQR Parameters in the Antimony(III) Complex Compounds XSb2F7 (X =K, Cs, Tl, CN3H6)
Authors: Zemnukhova L. A. , Kuznetsov S. I.
Published: February 2015

The present paper contains the results of an 123Sb NQR study of the compounds XSb2F7 (X = K, Cs, Tl and CN3H6) at 77 - 350 K. The obtained parameters are compared with the corresponding crystal structures
Nuclear Spin-lattice Relaxation in Cuprate Superconductors – Some New Approaches
Authors: Brinkmann Detlef , Zavidonov Andrei Yu.
Published: February 2015

This paper reviews theoretical studies of nuclear spin-lattice relaxation we have made for the normal state of the cuprate high-temperature superconductors YBa2Cu3O7, YBa2Cu4O8, and La2-xSrx CuO4. In the case of planar sites, we calculated the dynamic spin susceptibility within a constraint-free theory based on the presentation of the model in terms of Hubbard operators. The results for 63Cu, 17O, and 89Y are in good agreement with experimental data. The relaxation (and the Knight shift) of chain Cu in YBa2Cu3O7 and YBa2Cu4O8 requires a different treatment; our approach uses the Luttinger-liquid model. Again, good agreement with experiment is achieved
Cu-NMR Study on Disordered Sr14Cu24O41
Authors: Ohsugi S. , Matsumoto S. , Kitaoka Y. , Matsuda M. , Uehara M. , Nagata T. , Akimitsu J.
Published: February 2015

The ladder-Cu NMR spectrum of a structural disordered single crystal Sr14Cu24O41 (Sr14-B) under a magnetic field H~11 T gradually splits into two spectra with Curie-like broadening as T decreases from TSP~150 K. Short-range (SR) staggered polarization (SP) on the ladder planes, originating from single- hole localization, occurs. The separation of the Sr14-B spectrum DH deviates from the Curie-like T dependence below 20 K. This assures that spontaneous moments appear below TN~20 K in H~11 T
On the Calculation of Electric Field Gradients in Layered Compounds
Authors: Butz Tilman
Published: February 2015

An analytical formula is derived for the electric field gradient (EFG) of a thin slab with an arbitrary charge density in the - -plane without -dispersion, based on its Fourier expansion. It turns out that the EFG is dominated by the leading Fourier-coefficients for thin slabs and reduces to a contact-term proportional to the charge density at the nucleus in the truly two-dimensional case. An extension to charge density distributions which are factorizable into a function f(x,y) and g(Z) is given with an example for a Gaussian g(Z). The consequences for EFGs in layered compounds such as TaS2 and TaSe2 are discussed
Spin Manipulation by Use of Nuclear Quadrupole Interactions – Quarks and Medium Effects in the Nucleus
Authors: Minamisono K. , Matsuta K. , Minamisono T. , Yamaguchi T. , Sumikama T. , Nagatomo T. , Ogura M. , Iwakoshi T. , Mihara M. , Fukuda M. , Koshigiri K. , Morita M.
Published: February 2015

The alignment correlation terms in the β-ray angular distributions from the purely spin aligned mirror pair 12B(Iπ= 1+ T1/2 = 20.2ms) and 12N(Iπ = 1+,T1/2 = 11.0ms)were precisely measured to place a new limit on the G-parity conservation law. For the creation of the alignment, the spin manipulation technique was applied, which utilized the nuclear quadrupole interactions. The - parity violating induced tensor coefficient was determined to be 2MfT/fa = -0,15 ± 0,12 ± 0,05 (theor.), which is consistent with the theoretical prediction based on QCD in which 2MfT/fA is proportional to the mass difference between up and down quarks which constitute the nucleon. Also determined the axial charge to be y= 4,90±0,10 (90% CL). From the result, we have found that the nucleon mass inside the nucleus is reduced (16 4)% relative to the free nucleon mass
An Analysis of Quadrupole Splitting of the Mössbauer Spectra of Ferritin and Iron-Dextran Complexes in Relation to the Iron Core Microstructural Variations
Authors: Oshtrakh M. I. , Milder O. B. , Semionkin V. A. , Prokopenko P. G. , Livshits A. B. , Kozlov A. A. , Pikulev A. I.
Published: February 2015

Mössbauer spectra of human liver ferritin and some pharmaceutically important iron-dextran complexes as ferritin models were measured at 87 K (frozen solutions) and at both 87 and 295 K (lyophilized forms). The Mössbauer spectra consisted of paramagnetic doublets only. However, the spectral line shapes were not Lorentzian and these Mössbauer spectra were better fitted using a superposition of two or more quadrupole doublets or using a distribution of quadrupole splittings. The differences of the maximal quantity of quadrupole doublets for better fitting of various Mössbauer spectra of ferritin and iron-dextran complexes were compared with the fitting using the distribution of quadrupole splitting for additional analysis. It is possible that variations of the quantity of quadrupole doublets for better fitting of Mössbauer spectra of ferritin and iron-dextran complexes may be related to heterogeneous iron cores in the samples. This heterogeneity is supposed to be different for various samples and changed for lyophilized samples and for frozen solutions as well as for various temperatures
Development of a Nuclear Spin Dewar: Hyperfine Interactions of the Short-Lived Emitter 12B in TiO2
Authors: Ogura M. , Minamisono K. , Sumikama T. , Nagatomo T. , Iwakoshi T. , Miyake T. , Kudo S. , Akutsu K. , Sato K. , Mihara M. , Fukuda M. , Matsuta K. , Akai H. , Minamisono T.
Published: February 2015

The β-NMR detection of 12B ( Iπ= 1+, T1/2 = 20.2 msec) implanted in a TiO2 (rutile) single crystal following a nuclear reaction showed that its spin polarization produced in the reaction is totally maintained during its lifetime. Two implantation sites with relative populations 9:1 were identified. The electric field gradients (EFGs) were determined to be q = +(37.1 0.5) 1015 V/cm2 with η< 0.03 and q = +(185 5) 1015 V/cm2 with η= 0.62 0.02 for the major (90%) and minor (10%) sites, respectively. The EFGs were compared with the theoretical values given by the band-structure calculation in the framework of the KKR method. TiO2 crystals with proper treatment can be a good “Spin Dewar” in which any short-lived nuclei can be implanted, and their spin polarizations as produced in nuclear reactions can be maintained during their lifetime
Mössbauer Spectroscopic Studies of Molecule-Based Magnets: Two-Dimensional Complexes Derived from Metal Schiff-Bases and Hexacyanoferrate(III)
Authors: Iijima S. , Mizutani F. , Miyasaka H. , Matsumoto N. , Ōkawa H.
Published: February 2015

Variable-temperature 57Fe Mössbauer measurements on cyanide-bridged 2-D bimetallic assemblies NEt4[Mn(salen)]2[Fe(CN)6] (1), K[Mn(3-MeOsalen)]2[Fe(CN)6] (2) and K[Mn(3- MeOsalen)]2[Fe(CN)6]2 DMF (3), where salen2- = N,N'-ethylenebis(salicylidene iminato) dianion, revealed that these compounds exhibit a long range magnetic ordering below ca. 10 K under zero applied field. The quadrupole splittings of 1 - 3 showed intermediate values between those of typical cyano-bridged 1-D and 3-D complexes. The paramagnetic state of K[Mn(5-Clsalen)]2- [Fe(CN)6] 4 H2O (4) turned to a bulk magnetic one with desolvation
The Nuclear Quadrupole Interaction of 187W(β–)187Re in W(VI)-EDTA Complexes
Authors: Sun Guida , Liu Weiqiao , Butz Tilman
Published: February 2015

The nuclear quadrupole interaction of 187W(β-)187Re in W(VI)-EDTA complexes at room temperature was determined by time differential perturbed angular correlations (TDPAC) to be VQ = 1270(8) MHz with an asymmetry parameter η= 0.403(4). While the coordination geometry of the Mo(VI)- EDTA complex is known, there appears to be none for the W-analogue. The rather similar asymmetry parameters for the 187W(β-)187Re in W(VI)-EDTA complex and for the 99Mo(β-)99Tc in Mo(VI)- EDTA complex, determined previously, supports the idea that the coordination geometries in the Moand W-complexes are similar
Positive Temperature Dependence of Quadrupole Splittings in Mössbauer Spectra of Fe1.33Nb2.67Se10
Authors: Suzuki Takashi , Okubo Noriaki
Published: February 2015

The Mössbauer effect in the low-dimensional compound Fe1.33Nb2.67Se10 has been examined between 78 and 414 K. An anusual positive temperature dependence of the quadrupole splittings was found above 250 K. As a possible origin a mechanism due to π bonding is suggested
Disk Instantons, Mirror Symmetry and the Duality Web
Authors: Aganagic Mina , Klemm Albrecht , Vafa Cumrun
Published: February 2015

We apply the methods recently developed for computation of type IIA disk instantons using mirror symmetry to a large class of D-branes wrapped over Lagrangian cycles of non-compact Calabi-Yau 3-folds. Along the way we clarify the notion of “flat coordinates” for the boundary theory. We also discover an integer IR ambiguity needed to define the quantum theory of D-branes wrapped over non-compact Lagrangian submanifolds. In the large N dual Chern-Simons theory, this ambiguity is mapped to the UV choice of the framing of the knot. In a type IIB dual description involving (p; q) 5-branes, disk instantons of type IIA get mapped to (p; q) string instantons. The M-theory lift of these results lead to computation of superpotential terms generated by M2 brane instantons wrapped over 3-cycles of certain manifolds of G2 holonomy.
Studies of EPR g-factors on Rutile (TiO2) with Co2+ Ion
Authors: Wu Shao-Yi , Zheng Wen-Chen
Published: February 2015

The anisotropic g-factors gX, gY , and gZ for Co2+ in rutile crystal are studied from the secondorder perturbation formulas based on the cluster approach. In the studies, the contributions due to covalency effects, the configuration interaction and the rhombic crystal field are taken into account. The calculated values are close to the observed ones. The small discrepancy between calculation and experiment is discussed.
Extremal Chemical Trees
Authors: Fischermann Miranca , Gutmana Ivan , Hoffmann Arne , Rautenbach Dieter , Vidović Dušica , Volkmann Lutz
Published: February 2015

Avariety of molecular-graph-based structure-descriptors were proposed, in particular the Wiener index W, the largest graph eigenvalue λ1, the connectivity index χ, the graph energy E and the Hosoya index Z, capable of measuring the branching of the carbon-atom skeleton of organic compounds, and therefore suitable for describing several of their physico-chemical properties. We now determine the structure of the chemical trees (= the graph representation of acyclic saturated hydrocarbons) that are extremal with respect to W, λ1, E, and Z, whereas the analogous problem for χ was solved earlier. Among chemical trees with 5, 6, 7, and 3k + 2 vertices, k = 2, 3,..., one and the same tree has maximum λ1 and minimum W, E, Z. Among chemical trees with 3k and 3k + 1 vertices, k = 3, 4..., one tree has minimum W and maximum λ1 and another minimum E and Z.
Surface Wave Propagation in Thin Silver Films under Residual Stress
Authors: Njeh A. , Wieder T. , Schneider D. , Fuess H. , Ghozlen M. H. Ben
Published: February 2015

Investigations using surface acoustic waves provide information on the elastic properties of thin films. Residual stresses change the phase velocity of the surface waves. We have calculated the phase velocity and dispersion of surface waves in thin silver films with a strong [111]-fibre texture. A non-linear description of surface waves propagating along the [110]-direction of the substrate has been developed on the basis of an acoustoelastic theory, taking into account residual stresses. The relative change Δv/v of the velocity v was found to be linear for large excitation frequencies. The dispersion curves were measured using a photoacoustic method. For sputtered polycrystalline thin silver films we found good agreement between the experimental and calculated dispersion curves for frequencies up to 225 MHz.
Microstructure and Electrochemical Behaviour of some SnO2-based Inert Electrodes in Aluminium Electrolysis
Authors: Popescu Ana-Maria , Mihaiu Suzana , Zuca Stefania
Published: February 2015

Some types of anodes that could replace the usual carbon anodes in aluminium production by the Hall-Heroult process are based on SnO2. The present investigation deals with SnO2-Sb2O3-CuO ceramics having an SnO2 content of ≥96%), Sb2O3 and CuO being dopants. The ceramic pellets, thermally treated at 1400 °C for 4 hours, were analysed by X-ray diffraction and IR spectroscopy. The structural analysis of the samples evidenced an SnO2 (ss) type solid solution. All samples were electronically conductive (small negative values of the Seebeck coefficients), having an activation energy ranging within 0.02 - 0.3 eV.

The anodic polarisation curves obtained with those anodes in an electrolyte of 88% Na3AlF6, 7% Al2O3 and 5% CaF2 were studied. The results were correlated with the microstructure of the investigated samples.
Excitation Wavelength Dependence of ACRYLODAN Fluorescence Spectra in Some Polar Solvents
Authors: Kawski A. , Bojarski P. , Kukliński B.
Published: February 2015

The fluorescence of ACRYLODAN (6-acryloyl-2-dimethylamino-naphtalene) consists of two bands in liquid polar solvents like 1,2-dichloroethane, N,N-dimethylformamide, or acetonitrile. The intensity ratio of long emission (LE) and short emission (SE) bands, LE/SE, depends on the excitation wavelength. For λexc = 420 nm only LE band appears. The observed two fluorescence bands of ACRYLODAN in polar solvents containing trace amounts of water originate from two different components: LE of ACRYLODAN and SE of the product resulting from hydrolysis back to 2-dimethylaminonaphtalenic acid.
Origin and Stabilization of Novel Single Phase Variant, Smectic-F Among nO.m Compounds
Authors: Pisipati Venkata G. K. M. , Kumar P. A. , Srinivasu Ch.
Published: February 2015

Smectic and comprehensive investigations on the phase transition studies of p-n-alkoxybenzylidene-p-n-alkyl anilines (nO.m’s) reveal the occurrence of direct smectic-F transition from isotropic liquid in higher homologues. We report the influence of terminal alkyl- and/or alkoxy-chain lengths on the manifestation and stabilization of this unique phase variant.
Molecular Organization in Langmuir Films of a Dichroic Azo Dye-Liquid Crystal Mixture. I. Thermodynamic Data and BAM Observations
Authors: Martyński T. , Miyake J.
Published: February 2015

1

Two-component films of 4-octyl-4’-cyanobiphenyl (8CB) and a nonamphiphilic azo dye on an airwater interface have been studied by means of surface pressure-area (π-A) isotherm measurement, Brewster angle microscopy (BAM), and absorption spectroscopy. Conventional Langmuir technique was used to form /8CB (guest-host) films during compression and expansion of an area occupied by the molecules. The pure dye, spread on the air-water interface, formed irregular three-dimensional structures (3D), visible by the naked eye. In 1/8CB films the dye was distributed homogeneously only at low mole fraction. At mole fractions higher than 0.3, just after spreading the 1/8CB solution at the interface part of 1 formed 3D structures. On the basis of π-A isotherm, information about the miscibility of the two components in the 1/8CB mixtures was obtained by using the area additivity criterion and surface phase rule. BAM images allowed to draw conclusions on the molecular organization of mixed Langmuir films at the air-water interface. The presence of 1, roughly up to a mole fraction of 0.5, causes the mixed film to be less compressible and more thermodynamically stable (with higher collapse surface pressure). The absorption spectra of the films of 1/8CB mixtures revealed the formation of dye aggregates.
Mean Amplitudes of Vibration of the Halogen Molecules
Authors: Baran Enrique J.
Published: February 2015

Mean amplitudes of vibration of the halogen molecules F2, Cl2, Br2, and I2 have been calculated from known spectroscopic data in the temperature range between 0 and 1000 K. The results are briefly discussed, and some comparisons with the results of the related diatomic interhalogen molecules, as well as with experimental values obtained by electron diffraction experiments, are made.
Photophysical and Photochemical Properties of Green Fluorescent Liquid Crystalline Systems
Authors: Grabchev Ivo , Chovelon Jean-Marc
Published: February 2015

The photophysical properties of polymer-dispersed liquid crystal systems, containing naphthalimide dye as fluorescent units are reported. Investigations have been carried out on some 1,8- naphtalimide derivatives both in isotropic and anisotropic media, and their photophysal properties have been described. The orientational order parameters of the dyes in nematic liquid crystal ZLI 1840 have been determined. The photostability of the dye/liquid crystal systems has been investigated and the effect that the substituents in the naphthalimide structure have upon the orientation of the dye was discussed.
Spectroscopic Studies with N-Chloroarylsulphonamides: IR and 1H, 13C and 23Na Nmr Spectra of Sodium Salts of N-Chloro-Mono- and Di-Substituted-Benzenesulphonamides, 4-X-C6H4SO2NANCl (X = H; CH3; C2H5; F; Cl; Br; I or NO2) and i-X, j-YC6H3SO2NANCl (i-X, j-Y = 2,3-(CH3)2; 2,4-(CH3)2; 2,5-(CH3)2; 2-CH3, 4-Cl; 2-CH3, 5-Cl; 3-CH3, 4-Cl; 2,4-Cl2 or 3,4-Cl2)
Authors: Gowda  , D’Souza J. D. , Kumar B. H. Arun
Published: February 2015

In an effort to introduce N-chloroarylsulphonamides of different oxydising strengths, sixteen sodium salts of N-chloro-mono- and di-substituted benzenesulphonamides of the configuration, 4- X-C6H4SO2NaNCl (where X = H; CH3; C2H5; F; Cl; Br; I or NO2) and i-X, j-YC6H3SO2NaNCl (where i-X, j-Y = 2,3-(CH3)2; 2,4-(CH3)2; 2,5-(CH3)2; 2-CH3,4-Cl; 2-CH3,5-Cl; 3-CH3,4-Cl; 2,4- Cl2 or 3,4-Cl2) are prepared, characterized through their infrared spectra in the solid state and NMR spectra in solution. The υN-Cl frequencies vary in the range 950 - 927 cm−1. Effects of substitution in the benzene ring in terms of electron donating and electron withdrawing groups have been considered, and conclusions drawn. The chemical shifts of aromatic protons and carbon-13 in all the N-chloroarylsulphonamides have been calculated by adding substituent contributions to the shift of benzene. Considering the approximation employed the agreement between the calculated and experimental chemical shift values for different protons or carbon-13 is quite good. Effects of phenyl ring substitution on chemical shift values of both 1H and 13C are also graphically represented in terms of line diagrams.
Integrability of Models Arising From Motions Of Plane Curves
Authors: Qu Changzheng , Zhang Shunli , Zhang Quanju
Published: February 2015

Four sets of nonlinear evolution equations which are viewed as generalizations of K(n,m) (n = m + 1,m + 2) models, are introduced. It is shown that these equations, together with the K(n,m) (n = m + 1,m + 2) models, arise naturally from motions of curves in several geometries, and they are Painlev´e integrable. Other gauge equivalent integrable equations are obtained by use of the equivalence between integrable equations for the curvature and graph of the curves. In particular, we obtain the generalized WKI equation and its one-loop soliton solutions.
On the Dynamic Dielectric Behaviour of (CH3NH3)3Sb2Br9(MABA)
Authors: Pawlaczyk Czesław , Jakubas Ryszard
Published: February 2015

The complex electric permittivity of ferroelectric (CH3NH3)3Sb2Br9 (MABA) single crystals has been measured in the frequency range 1 kHz - 3 GHz between 15 and 300 K. The dynamic dielectric behaviour of MABA is determined by the properties of high frequency relaxation of Cole-Cole type. It is thermally activated and characterised by a relatively small activation energy. The phase transitions at 168 and 134 K influence the amplitude of the relaxation (Δε) without any important changes in the relaxation frequency.
Effect of Couple Stresses on the MHD of a Non-Newtonian Unsteady Flow between Two Parallel Porous Plates
Authors: Eldabe N. T. M. , Hassan A. A. , Mohamed Mona A. A.
Published: February 2015

In this paper the MHD of a Non-Newtonian unsteady flow of an incompressible fluid under the effect of couple stresses and a uniform external magnetic field is analysed by using the Eyring Powell model. In the first approximation the solution is obtained by using the Mathematica computational program with assuming a pulsatile pressure gradient in the direction of the motion. In the second order approximation a numerical solution of the non-linear partial differential equation is obtained by using a finite difference method. The effects of different parameters are discussed with the help of graphs in the two cases.