bluuebunny/crossref_metadata_2025_split huggingface dataset:
Schwingungsberechnungen der Species Ti2Cl10
2− , Ti2Cl9
− und TiCl5
− / Molecular Vibration Analysis of Ti2Cl10
2− , Ti2Cl9
− and TiCl5
−
Authors: Demiray A. F. , Brockner W. , Cyvin B. N. , Cyvin S. J. 
Published: February 2015

Abstract
Normal coordinate analyses of the chlorotitanate ions Ti2Cl10
2−Ti2Cl9
− - and TiCl5
− have been carried out following Wilson's FG matrix method. The final force constants are given in terms of symmetry coordinates, which are thoroughly specified for a Ti2Cl9
− molecular model. Assignments of the vibrational frequencies of the title compounds are proposed, and the corresponding potential energy distributions are given. The final force fields were used to calculate the mean amplitudes of vibration, of which those of TiCl5
− and selected values of Ti2Cl10
2− andTi2Cl9
− are reported.
Self-Association of Cholesterol in Carbon Tetrachloride
Authors: Kunst M. , Duijn D. van , Bordewijk P. 
Published: February 2015

Abstract
Analysis of infrared hydroxyl multimer absorbances of dilute solutions of cholesterol in carbon tetrachloride as a function of the monomer absorbance strongly favours the interpretation of the association of this alcohol with a monomer-dimer-tetramer model up to a molar fraction of 0.012. This model also explains very well the concentration dependence of the apparent dipole moment. Equilibrium constants and dielectric parameters have been determined. Suggestions about the structure of the various associates are made.
Solid State Electrochemical Study of Phase Equilibria and Thermodynamics of the Ternary System Y-Fe-O at Elevated Temperatures
Authors: Piekarczyk W. , Weppner W. , Rabenau A. 
Published: February 2015

A solid state galvanic cell technique has been employed to determine the phase diagram of the ternary system Y-Fe-O in the temperature range from 900 to 1250 °C. Only electrical quantities need to be measured and the samples do not have to be quenched. YFeO3 and Y3Fe5O12 exist over the entire temperature range, whereas the third ternary compound YFe2O4-x is only thermodynamically stable above 1010 ± 9 °C. Above 1078 ± 15 °C YFe2O4-x comes into equilibrium with Y2O3.
With the same experimental arrangement the standard Gibbs free energies of formation ⊿G f
0 of the ternary compounds YFeO3, Y3Fe5O12 and YFe2O4 have been determined to be -1366.0 + 0.2525 X T kJ/mol (1173 ≦ T [K] ≦ 1523), - 4912.2 +0.9990 X T kJ/mol (1173≦T[K] ≦ 1523) and -1615.9 + 0.3068 x T kJ/mol (1283≦T[K] ≦ 1523) as functions of the temperature, respectively
Kinetics of BaBr2 · 2 H2O Dehydration: Comparison between Isothermal and Non-isothermal Methods
Authors: Flor Giorgio , Marini Amedeo , Berbenni Vittorio 
Published: February 2015

For the dehydration processes
BaBr2 • 2 H2O → BaBr2 • H2O + H2O (I)
BaBr2 • H2O → BaBr2 + H2O (II)
a comparison was made between the experimental non-isothermal ɑ vs. t curves and those calculated on the basis of a previous isothermal study.
It was observed that for low heating rates, when the "thermal lag" is negligible, the dynamic measurements are in good agreement with the isothermal ones.
Furthermore, for process (I), two mathematical methods proposed for the interpretation of the non-isothermal TG curves were applied and the kinetic parameters so obtained were discussed
Internal Cation Mobilities in the Molten Systems (Li-Rb)N0 3 and (Li-Cs)NO s
Authors: Okada Isao , Takagi Ryuzo , Kawamura Kazutaka 
Published: February 2015

The relative differences in internal cation mobilities are measured for the molten systems (Li-Rb)NO3 and (Li-Cs)NO3 over a wide range of temperatures and concentrations with a countercurrent electromigration method, and the internal mobilities are calculated from these results and the available data on the electrical conductivity.
The following phenomena are observed: (a) under some conditions the electrical mobility of Li+ is lower than that of the larger cation, (b) at a given temperature the mobility of Li+ decreases with increasing molar volume of the mixture, and (c) at low temperatures the isotherms of the mobility of the large cation show a maximum at some low concentration of that ion. These phenomena are interpreted in terms of the free space and the pair potential between cation and anion
The Influence of Detergents on the Bleaching Process, Laser Properties of Rhodamine 6G and B in Aqueous Solution
Authors: Konefał Z. 
Published: February 2015

Abstract
The bleaching and the laser properties of Rhodamine 6G and B in aqueous detergent solutions have been studied. The rate of bleaching depends on the concentration of the detergent. The relative quantum yields of the bleaching process for these solutions have been determined. It is found that the influence of detergents on the generation efficiency depends on the type of dye employed. From the results obtained it is concluded that the detergents influence the population of the triplet state of the lasing dye.
The Vibronic and Infrared Spectra of Europium Dibenzoylmethane Chelate with Piperidine
Authors: Zachara S. 
Published: February 2015

Abstract
The vibronic spectra of europium dibenzoylmethane chelate with piperidine in the neighbour-hood of the 5D0 → 7F0 line at 293 K and 77 K and the infrared absorption spectra in the region of 20- 200 cm-1 at various temperatures have been studied. It is shown that all vibrational frequencies obtained from the vibronic spectrum at 77 K can be observed in the infrared spectrum at the same temperature. For the above frequencies we assign some vibrations as belonging to irreducible representations of S4 point group symmetry.
Dynamics of Energy Transfer by Singlet Excitons in Naphthalene Crystals as Studied by Time-Resolved Spectroscopy
Authors: Auweter H. , Braun A. , Mayer U. , Schmid D. 
Published: February 2015

Abstract
The time-resolved sensitized fluorescence of anthracene-doped naphthalene crystals following picosecond-pulse excitation was investigated experimentally as a function of dopant concentration and temperature. The influence of the excitation intensity on the decay of pure naphthalene crystals is studied and yields an almost temperature-independent annihilation constant, yss ≈ 4 x 10-11 cm3 s-1 . The analysis of the time-resolved host and guest fluorescence shows that the energy transfer rate, kHG > changes its functional form with the guest concentration. The temperature dependence of the energy transfer rate is explained tentatively in terms of phonon relaxation and phonon promotion processes.
An Electromotive-Force Study of the Activity of Aluminium in Al-Ga, Al-Ge and Al-Ga-Ge Systems
Authors: Eslami H. , Franceschi J. de , Gambino M. , Bros J. P. 
Published: February 2015

The activities of aluminium in Al-Ga, Al-Ge and Al-Ga-Ge systems were measured between 933 K and 1273 K using an e.m.f. method with a molten salt electrolyte.
The results concerning Al-Ga and Al-Ge systems are in good agreement with those previously obtained.
The E(T) curves of the 36 ternary alloys studied give also some liquid-solid equilibrium tem­peratures and allow isothermal curves of the ternary liquidus surface to be drawn.
Tokamak Fuelling with Pellets: Effect of Transport Phenomena on the Injection Requirements
Authors: Lengyel L. L. 
Published: February 2015

Abstract
Results of calculations on pellet-plasma interaction that take into account transport phenomena inherent in tokamak plasmas are analyzed. It is shown that the results obtained by different authors on the optimum pellet penetration depth and required pellet injection frequencies, which are partly contradictory, can be explained by means of the different transport processes taken into account or neglected in the calculations concerned.
Gas Phase Two-Photon Spectroscopy of Polyazines: Pyrazine
Authors: Knoth I. , Neusser H. J. , Schlag E. W. 
Published: February 2015

Abstract
The two-photon excitation spectra of gas phase pyrazine-h4 and -d 4 in the region of the S1←S0 transition are presented. The two-photon absorption which is electronically forbidden is induced by-various vibrations of ungerade parity. Because of the different selection rules for two-photon transitions hitherto unknown vibrational frequencies in the excited state 1B3u have been determined.
Alignment and Opening of Giant Lecithin Vesicles by Electric Fields
Authors: Harbich W. , Helfrich W. 
Published: February 2015

Abstract
AC electric fields ware applied to suspensions of giant lecithin vesicles observed under a phase contrast microscope. Elongated vesicles were found to align parallel to the field. In sufficiently strong fields the vesicles opened at both ends and became cylinders which in some cases were immutable under further increase of the field. The cylinder parameters can be used to calculate the edge energy of the cylinder wall. For the single bilayer we obtain 2-10-6 erg cm-1.
Magnetic Field Effect on the Radical Yield of Electron Transfer Reactions Between a Dye Triplet and Heavy Atom Substituted Electron Donors
Authors: Steiner Ulrich 
Published: February 2015

Abstract
The radical yield in the electron transfer reactions between thionine triplet and various halogenanilines, as measured by kinetic flash spectroscopy in the microsecond time region, decreases by application of magnetic fields up to 4 kGauss. The relative magnetic field effect parallels the influence of the heavy atom substituents on the intersystem crossing rate constant in the triplet exciplex supposed to be the primary product of the electron transfer reaction. The magnetic field effect is suggested to be due to differences of the g-factors in the geminate radical pair, originating by dissociation of the triplet exciplex.
Polarization Relations and Dispersion Equations for Anisotropic Moving Media
Authors: Hebenstreit Helmut , Suchy Kurt 
Published: February 2015

Abstract
For media anisotropic (but not bi-anisotropic) in the comoving frame polarization relations and dispersion equations are derived using bilinear forms and quadratic forms, respectively. Specializations for media electrically anisotropic but magnetically isotropic (or vice versa) are given using (left and right) eigenvectors and eigenvalues of the material tensors.
Cation Mobilities, Including Isotope Effects, for Electromigration in Molten Mixtures of Potassium and Rubidium Nitrate
Authors: Ekhed Alf , Lundén Dr. Arnold 
Published: February 2015

Abstract
Electromigration of cations has been studied in molten KNO3 -RbNO 3 mixtures as a function of concentration (11 -94 mole % RbNO3 , about 380 °C) and temperature (about 10 mole % RbNO3 , 378 -560 °C). The mobility of K+ is slightly larger than that of Rb+ at all concentrations, the difference being about 3% in KNO3 -rich and 2% in RbNO3 -rich mictures. Neither for potassium nor for rubidium is the isotope effected affected much by the composition of the melt, although there is a tendency that the isotope effect for rubidium is somewhat larger in mixtures than in pure salts. Both isotope effects have the same temperature dependence in the investigated mixture as in the pure salts. The isotope effects for potassium and rubidium have also been determined for ternary NaNO3 -KNO3 -RbNO3 mixtures containing about 5 mole percent of NaNO3 and of RbNO3 . For comparison, a study of the mass effect for potassium ions in NaNO3 -KNO3 is also reported.
Solid State Transitions in Alkali Alkanoates: Diffractometric and Conductometric Measurements on Rubidium and Cesium Propanoates
Authors: Spinolo G. , Cingolani A. , Sanesi M. 
Published: February 2015

Abstract
Conductometric measurements on solid rubidium and cesium propanoates and X-ray powder diffraction measurements on the rubidium salt have been carried out over suitable temperature ranges. The results obtained, along with the previous ones concerning the lithium, sodium and potassium salts, have been discussed in relation to possible melting mechanisms (involving various kinds of disorder, e.g., positional, orientational, conformational) active in the alkali alkanoates family.
The Perturbed Hyperfine Structure of the 3s23d 2D-and 3s2 4d 2D-States of Al I
Authors: Falkenburg B. , Zimmermann P. 
Published: February 2015

Abstract
The influence of interconfiguration interaction between the nd 2D-series and the 3s3p2 configuration in Al I with regard to the magnetic hyperfine structure of the 3s2 3d 2D-and 3s2 4d 2D-states is discussed.
Eine Beschreibung von Hückel-Parametern mit Hilfe von Kennzahlen / A Description of Hüchel Parameters by Use of Characterizing Indices
Authors: Voitländer J. , Brüggemann R. 
Published: February 2015

Abstract
In many cases simple graph theoretical eigenvalue methods suffice to explain properties of molecules. Introducing valuations or weights of graphs (e.g. Hückel-Coulomb-and Hückel-resonance integrals) one may ask how they are related to effective nuclear charges and bond distances.
We are interested in whether such relations are bijective (injective and surjective) mappings. Injectivity and/or sujectivity can be characterized by indices, for instance “solution numbers” of non linear equations.
Using as physically motivated starting points (I) a simple effective model Hamiltonian and (II) a semiempirical formula for β (resonance integral) and a general expression for α (Coulomb integral) we can show that the mappings resulting from (I) and (II) agree with respect to their indices. Therefore we conclude that omitted terms in (I) are immaterial with respect to the mapping properties.
X-ray Scattering Factors of Ions in Crystals
Authors: Schmidt P. C. , Weiss Alarich 
Published: February 2015

Abstract
The atomic scattering factors for X - Rays are given for the ions Li⊕, Be2⊕, B3⊕, C4⊕, N5⊕, N3⊖, O2⊖, F⊖, Na⊕, Mg2⊕, Al3⊕, S2⊖, Cl⊖, K⊕, Ca2⊕, Sc3⊕, Ti4⊕, V5⊕, Ni, Cu⊕, Zn2⊕, Ga3⊕, Se2⊖, Br⊖, Rb⊕, Sr2⊕, Y3⊕, Pd, Ag⊕, Cd2⊕, I⊖, Cs⊕, and Ba2⊕ in the crystal. The crystal potential is simulated by a hollow charged sphere (Watson sphere model). The Hartree-Fock-Roothaan-method was used for the calculation. The crystal field affects most strongly the atomic form factors of the negative ions, especially the twofold and threefold ionized negative ions, which are unstable in the gaseous phase.
Gas Phase UPS Investigation of Trans-Azobenzenes
Authors: Millefiori S. , Millefiori A. , Pignataro S. , Distefano G. , Colonna F. P. 
Published: February 2015

Abstract
The first two ionization energy values of p-substituted trans-azobenzenes pX-C6H4-N = N-C6H5 (X = NH2, OCH3, OH, CH3, H, Cl, COOH and NO2) are reported. These have been obtained by U.V. (HeI and HeII) photoelectron spectroscopy (UPS). The substituent effect indicates that for electron donor substituents, the highest occupied orbital is π-type. This is confirmed by semiempirical calculations. When the substituent is H or a withdrawing group, the first two bands heavily overlap, and in these cases no certain assignment was possible, in spite of the several approaches used. The UPS data are discussed along with previous polarographic and U.V. absorption measurements.
Auswertung von ionenempfindlichen Photoplatten durch ein computergesteuertes Graukeil-Densitometer / Evaluation of Ion-sensitive Photographic Plates in Using an Optical Wedge Microdensitamiter
Authors: Knab H.-J. 
Published: February 2015

Abstract
A procedure for the automatic evaluation of ion-sensitive photographic plates used in spark source mass spectrography is described. Using an optical wedge microdensitometer the line-transmittance profiles are measured and stored. In a second step the transmittance profiles are converted into ion-intensity profiles, according to the equation of Franzen et al. [8], and inte-grated.
The two methods, peak height and integrated intensities, are compared in terms of precison and accuracy.
Mass Spectrometrical Study of Rare Gas Compositions and Neutron Capture Effects in Yamato-74191 (L 3) Chondrite
Authors: Takaoka Nobuo , Nagao Keisuke 
Published: February 2015

Abstract
The unequilibrated hypersthene chondrite Yamato-74191 was studied mass spectrometrically for rare gases released at various temperatures. Cosmogenic gases dominate in He and Ne. The meteorite contains large amounts of trapped Ar, Kr and Xe, and radiogenic 40Ar and 129Xe. Cosmic-ray irradiation and K-Ar ages were determined.
In addition to spallogenic components of Kr and Xe, isotopic excesses of 80Kr, 82Kr, 128Xe and 126Xe relative to AVCC-Kr and -Xe were found. The ratio of 80Kr-excess to 82Kr-excess is 2.66 after correction for spallogenic Kr. A correlation between 128Xe/132Xe and 129Xe/132Xe was found The 129Xe/132Xe ratio for trapped Xe in Yamato-74191 was determined as 1.12 ± 0.29 with the correlation plot.
The excesses found in Yamato-74191 are best explained by epithermal neutron capture on Br and I, and by the 127I (n, 2nβ) 126 Xe reaction. Using neutron-produced 80Kr, the neutron slowing -down density was estimated to be 0.14 ± 0.03 cm-3sec-1.
A minimum mass and a preatmospheric radius was estimated to be 470 kg and 32 cm, respectively.
Mineralogical and Petrographical Study of the Zaisho Meteorite, a Pallasite from Japan
Authors: Shima Makoto , Okada A. , Yabuki H. 
Published: February 2015

Abstract
The Zaisho meteorite, a pallasite from Japan, is primarily composed of nickel-iron and olivine, and contains minor amounts of troilite, schreibersite, chromite and farringtonite. The olivine of this meteorite is Fa18.6 in molar composition, and exhibits non-rounded morphology. About 17% of the olivines are kinked crystals. The formational temperature was estimated to be 1220 °C from the Mg-Fe 2+ distribution coefficient in the coexisting olivine-chromite pair.
Trace Element Contents of Selected Antarctic Meteorites.I. Weathering Effects and ALH A77005, A77257, A77278 and A77299
Authors: Biswas Swarajranjan , Ngo Hung T. , Lipschutz Michael E. 
Published: February 2015

Abstract
We report data for volatile/mobile Ag, As. Au, Bi, Cd, Co, Cs, Cu, Ga, In, Rb, Sb, Se, Te, TI and Zn in exterior and/or interior samples of four Antarctic meteorites from the Allan Hills (ALH) : A77005 (unique achondrite) ; A77257 (ureilite) ; A77278 (L3) ; A77299 (113). Exterior samples reflect contamination and/or leaching by weathering but trace element (ppm-ppt) contents in interior samples seem reasonable for representatives of these rare meteoritic types. The A77005 achondrite seems related to shergottites; other samples extend compositional ranges previously known for their groups or types. With suitable precautions, Antarctic meteorite finds yield trace element data as reliable as those obtained from previously - known falls.
Lattice Dynamics of Molybdenum and Chromium
Authors: Singh B. P. , Pathak L. P. , Hemkar M. P. 
Published: February 2015

Abstract
The frequency-wave vector dispersion relations, the frequency spectrum, the Debye temperature, the temperature dependence of the Debye-Waller factor and the mean square displacements of the atoms molybdenum and chromium, the metals for which long range forces are also important, have been computed on the basis of the extended improved Fielek model for BCC transition metals. The model considers, for the first time the d shell-d shell central interactions upto next-nearest-neighbours. The calculated results show a satisfactory agreement with the available experimental data.
A Comparative Study of the Kinetics of Electrophilic Substitution in Aromatic Substrates by Iodine Monochloride and Iodine in Potassium Iodide
Authors: Rao T. S. , Jukar R. N. 
Published: February 2015

Abstract
Electrophilic substitution in aromatic substrates by iodine monochloride is about 105 times faster than by iodine in potassium iodide. This is due to the permanent dipole in the iodine monochloride, with iodine as the positive end, which greatly facilitates electrophilic attack.
Closed Shell Hartree Theory with Orthonormal Orbitals
Authors: Ishikawa Yasuyuki 
Published: February 2015

Abstract
A natural orbital multiconfigurational SCF formalism has been applied to the closed shell Hartree theory with orthonormal orbitals. A prescription is given for constructing a single, one-electron Hamiltonian with which one can determine all the occupied orbitals. The formalism is suited to the matrix formulation of the orthogonalized Hartree theory for polyatomic systems.
The Relative Orientation of the Total Dipole Moment in the N-cis Lone-Electron-Pair-Trans Isomer of Allylamine
Authors: Fischer Edmund , Botskor Ivan 
Published: February 2015

Abstract
The dipole moment of the doubly deuterated species (CH2=CH-CH2-ND2) of N-cis Lone-electron-pair isomer of allylamine has been measured. The "isotope pulling elfect" has been used to determine the relative orientation of the total dipole moment with respect to the principal axes in the normal species. The possible effects of large amplitude motions on the observed effective dipole moments are discussed.
Millimeter Wave Rotational Spectrum and Centrifugal Distortion of Thioketene, H2C==C=S
Authors: Winnewisser Manfred , Schäfer Eckhard 
Published: February 2015

Abstract
a-type rotational transitions of molecules in the vibrational ground state of thioketene, H2C=C=S, have been measured in the millimeter wavelength region. The measurements yielded improved rotational constants:
A = 286 655(82) MHz,
B = 5 659.47596(72) MHz,
C = 5 544.51269(72) MHz.
A detailed centrifugal distortion analysis by means of Watson's S-reduced Hamiltonian led to the determination of four quartic, two sextic and two higher order distortion constants:
DJ = 1.08569(4) kHz, HJK = 0.716(20) Hz,
DJK = 168.269(77) kHz, HKJ = -408.7(73) Hz,
D1 = -25.46(68) Hz, LKJ = 0.65(24) Hz,
d2 = - 5.21(35) Hz, SKJ = -0.0533(24) Hz.
Effective rotational and centrifugal distortion constants using planarity conditions were calculated. The electric dipole moment of thioketene was determined to be μ = 1.01(3) D.
The Conformation and Vibrational Spectra of 1-Cyano-3-Butyne
Authors: Klaeboe P. , Moneeb M. , Törneng E. , Hopf H. , Böhm I. , Cyvin B. N. , Cyvin S. J. 
Published: February 2015

Abstract
The infrared spectra of 1-cyano-3-butyne were recorded in the region 4000-50 cm-1 in the vapour and liquid states, as an amorphous and as two different crystalline solids at 90 K. In addition the compound was studied as a high pressure crystalline solid at ambient temperature. Raman spectra of the liquid, including polarization measurements, and of the amorphous and the two crystalline solids at 90 K, were obtained.
The spectra revealed the existence of two conformers, anti (Cs) and gauche (C1 symmetry) in the vapour, liquid and in the amorphous solid. When annealed to ca. 140 K a metastable crystal containing one conformer (probably the gauche) was formed, when annealed to ca. 190 K a stable crystal was obtained having the other conformer (probably the anti). The latter conformer was present in the high pressure crystal.
Very accurate spectral data for each conformer were collected from the two crystalline solids, making complete assignments for the anti and gauche conformers feasible. The assignments were checked by a normal coordinate analysis. A simple diagonal force field was derived in which the same force constants were employed for the anti and gauche conformers. The mean amplitudes of vibration were calculated for both conformers.