bluuebunny/crossref_metadata_2025_split huggingface dataset:
High resolution vibrational Raman spectrum of oxygen
Authors: Fletcher William H. , Rayside John S. 
Published: May 2005

AbstractThe fundamental vibrational band of oxygen has been examined with a resolution of 0.05 cm−1 for the Q branch and 0.40 cm−1 for the S and O branches. All lines of the Q branch were clearly resolved except Q(1) and Q(3). Calculated molecular parameters agree with those previously reported from microwave and electronic spectra. Line width measurements made in the Q branch and on three S branch lines, using a resolution of 0.05 cm−1, are in fair agreement with previously measured and calculated line widths for pure rotational Raman lines.
Trisilylamine: Nitrogen isotope effect in the Raman spectrum and planarity of the NSi3 skeleton
Authors: Miller Foil A. , Perkins James , Gibbon Gerst A. , Swisshelm B. A. 
Published: May 2005

AbstractRaman frequencies for the totally‐symmetric NSi3 stretching mode of 14N(SiH3)3 and 15N(SiH3)3 have been carefully compared. In the gas phase the isotopic shift is zero within experimental error, which indicates planar trigonal geometry for the heavy‐atom skeleton. For the liquid and solid phases there are small but real isotopic shifts. The skeleton is therefore slightly distorted in these phases, but it is impossible to say just how.Complete Raman and infrared data are given for 14N(SiH3)3 in several physical states.
The external lattice vibrations of orthorhombic sulphur
Authors: Arthur J. W. , Mackenzie G. A. 
Published: May 2005

AbstractThe Raman spectrum of orthorhombic sulphur has been measured in the frequency range 0‐100 cm−1 for all polarisations. The A1g(zz) and B1g(xy) spectra have been clarified by later subtraction of unwanted scattering belonging to other polarisations. Definite assignments are made for all but one A1g and one B2g mode. An interpretation of the intensities observed in the A1g and B1g spectra is given in terms of the rotational motion of the S8 molecules affecting their contribution to the crystal polarisability.
Étude Théorique de L'effet Raman de Résonance des Molécules Diatomiques et Polyatomiques
Authors: van Labeke D. , Jacon M. , Berjot M. , Bernard L. 
Published: May 2005

AbstractDans le cadre de ‘l'approximation de réflexion’, les auteurs proposent une expression analytique du tenseur de diffusion des molécules diatomiques et polyatomiques, valable quelque soit la fréquence excitatrice. L'influence de la symétrie des vibrations sur les intensités des raies Raman de résonance est mise en évidence. L'expression du tenseur Rayleigh permet de justifier la forme gaussienne des courbes d'absorption des molécules polyatomiques. L'importance relative des intensités des différents harmoniques est ensuite étudiée en relation avec le coefficient d'absorption. D'autre part, un développement asymptotique permet de retrouver les résultats des théories antérieures de l'effet Raman de prérésonanceEn appendice, on montre enfin comment, à l'aide du formalisme utilisé, on peut déterminer très simplement le tenseur de diffusion Raman de prérésonance des raies fondamentales et harmoniques.
The relation of resonance Raman scattering to resonance fluorescence
Authors: Behringer J. 
Published: May 2005

AbstractIf and only if spontaneous resonance Raman scattering is excited by irradiation upon a single, discrete and non‐degenerate energy level sufficiently distant from other levels can it be interpreted as resonance fiuorescence, i.e. a sequence of two independent one‐photon processes, an absorption and an emission in definte order of succession. This decomposition of the resonance scattering process is independent of the bandwidth of the exciting radiation relative to the widths of the combining levels. These widths however determine quantitatively the temporal decay of the resonance scattering (= resonance fluorescence) probability given explicitly in the paper.
The rotational and rotation‐vibrational Raman spectra of HCN and DCN
Authors: Bendtsen Jørgen , Edwards Howell G. M. 
Published: May 2005

AbstractThe pure rotational and rotation‐vibrational Raman spectra of HCN and DCN have been photographed using a previously described instrument [7]. The molecular constants derived for HCN are in excellent agreement with those obtained from microwave and infrared spectroscopy. Especially, the measurements of the v1 rotation‐vibrational Raman band have confirmed the hitherto indirectly obtained values for the molecular constants of the v1 vibrational state of HCN.
Spectres Raman de Basses Frequences de Cristaux de Derives Benzeniques Paradisubstitues: p‐Br2C6H4, p‐Br2C6D4, p‐BrClC6H4 et p‐ClC6H4. Étude du désordre dans le dérive p‐BrClC6H4
Authors: Le. Calvé N. , Parent S. , Pasquier B. ,   avec la collaboration technique de F. ROMAIN
Published: May 2005

AbstractAn assignment of the Raman active lattice modes in terms of factor group symmetry species and rotational vibrations is given for paradibromobenzene‐H4 and ‐D4, parabromochlorobenzene and parachloroiodobenzene. The analysis of the Raman spectra of mixed crystals of paradibromobenzene and paradichlorobenzene at 90K with 1 cm−1 resolution and the temperature dependence of the linewidths of the three librations are evidence for the static nature of the disorder in the unsymmetrical derivatives.
Isolating the totally symmetric Raman spectrum of cubic crystals: The A1 spectrum of Cr3B7O13Cl
Authors: Lockwood D. J. 
Published: May 2005

AbstractIt is shown that by measuring the appropriate diagonal and off‐diagonal tensor con ponents of the Raman spectrum of a cubic crystal and then carrying out a simple subtraction process in a computer it is possible to isolate the totally symmetric Raman spectrum from the other components. The method relies on obtaining the data in digital form using automated spectrometry. The technique is applied to cubic Cr3B7O13Cl, whose Raman spectrum is reported here for the first time. The A1 spectrum at 300K comprises four bands at 176, 209, 375 and 657 cm−1 in agreement with group theoretical predictions. In addition, the spectrum contains a prominent wing feature extending to 250 cm−1 that is most likely associated with the ferroelectric phase transition at 263K.
Raman spectra of gases. XV: Hydrazine and hydrazine‐d4
Authors: Durig J. R. , Griffin M. G. , Macnamee R. W. 
Published: May 2005

AbstractThe Raman spectra of gaseous hydrazine and hydrazine‐d4 have been recorded from 40 to 3500 cm−1. For the ‘light’ molecule, strongly polarized lines at 3398, 3329 and 1076 cm−1 have been assigned to the NH antisymmetric stretch, NH symmetric stretch, and NN stretch, respectively. For the hydrazine‐d4 molecule, strongly polarized lines at 2442, 2422, 1031, 930 and 749 cm−1 have been assigned to the ND antisymmetric stretch, ND symmetric stretch, NN stretch, ND2 was and ND2 rock, respectively. The Raman spectra of both solid hydrazine and hydrazine‐d4 have been recorded and the splitting in the intramolecular fundamental region indicates that there are at least four molecules per primitie cell. In the lattice region of the spectra the optical translations and librations are assigned and the number of lattice modes rules out both of the space groups previously proposed for hydrazine from scattering studies.
The oriented gas approximation and the lattce vibrations of molecular crystals: Theory and application to perfluorobiphenyl
Authors: Arthur J. W. , Mackenzie G. A. 
Published: May 2005

AbstractThe oriented gas model of the polarisability of a molecular crystal provides a basis for the discussion of its Raman spectrum. This model is examined with a view to deriving information about eigenvectors of the zone centre lattice vibrations in these crystals. The theory of the general case is much simplified by symmetry conditions in certain instances. This is applied to the molecular crystal perfluorobiphenyl, C12F10, of recent interest. For this crystal it is found necessary to extend the theory to include the coupling of internal vibrations with the lattice vibrations. A simple model is found to account for this and the extent of the coupling is thereby estimated.
Vibrational spectra of crystalline HCCN, DCCCN, ClCCCN, BrCCCN, and ICCCN
Authors: Nolin Clément , Weber Jean , Savoie Rodrigue 
Published: May 2005

AbstractThe infrared, far‐infrared, and Raman spectra of crystalline cyanoacetylene and its deutero, chloro, bromo, and iodo derivatives were found to be consistent with the known crystal structures of these compounds. However, no definite evidence could be obtained for the existence of a distinct low‐temperature crystalline modification of iodocyanoacetylene suggested earlier from X‐ray diffraction data.
A correlation between vibronic coupling, adiabatic potential, and Raman scattering: A theoretical background of a proposed rule
Authors: Tsuboi Masamichi , Hirakawa Akiko Y. 
Published: May 2005

AbstractUsing a simple model system, a discussion is given of vibronic coupling between two excited electronic states, |e〉 and |s〉, through a non‐totally symmetric vibration along a normal coordinate Q. It is shown that such a vibronic coupling causes, on the one hand, Raman scattering associated with the vibration along Q, and on the other hand a flattened potential function or a double‐minimum potential function of the lower electronic excited state |e> along Q. The stronger the coupling, the stronger the scattering; and, at the same time, the more severe the flattening (or the greater the separation between the two minima) in the potential function. As an example, the b1g vibration at 917 cm−1 of pyrazine has been fitted with the model.
Raman spectroscopic studies of the effect of some of the gramicidin antibiotics on the phospholipid bilayer
Authors: Faiman R. , Long D. A. 
Published: May 2005

AbstractThe vibrational Raman spectra of some Gramicidin antibiotics and Gramicidin/lipid/water systems are reported. From comparison of these spectra some information can be obtained regarding changes in the tertiary structure of the antibiotic and changes in the hydrocarbon chain conformation within the bilayer on formation of the antibiotic/lipic/water complex.
Intensity distribution in pure rotational Raman spectra of linear molecules in the ground and vibrational II states application to acetylene
Authors: Finsterhölzl H. , Hochenbleicher J. G. , Strey G. 
Published: May 2005

AbstractThe pure rotational Raman spectrum of acetylene has been recorded with argon laser excitation and a resolution of about 0.3 cm−1. For the first time ΔJ = 1 transitions in the excited II states are clearly resolved up to J = 9. Formulae for the intensity distribution in rotational Raman spectra of linear molecules in the ground and vibrational II states have been derived including the effect of I‐type doubling. After a qualitative discussion these formulae are applied to a quantitative analysis of the acetylene spectrum.
Absolute Raman intensities of liquids
Authors: Abe N. , Wakayama M. , Ito M. 
Published: May 2005

AbstractThe absolute intensities of the 802 cm−1 Raman line of liquid cyclohexane at 514.5 and 337.1 nm excitations were determined by applying the local field correction theory to corresponding absolute intensities of cyclohexane vapour. By using this Raman line as an external intensity standard, the absolute Raman intensities of the 992 cm−1 line of benzene and the 666 and 762 cm−1 lines of chloroform were measured in the liquid phase. The gaseous absolute intensities were also measured for some molecules including benzene and chloroform and comparisons between the gas and liquid phase Raman intensities were made.
Raman and infrared spectra of crystalline [UO2(NH2O)2(H2O)2]·H2O
Authors: Scheuermann W. , Van Tets A. 
Published: May 2005

AbstractRaman spectra of a single crystal were recorded at 292 K in addition to spectra at 292 and 17 K of undeuterated and partly deuterated powder. Infrared spectra of these compounds in KBr discs were recorded in the temperature range 17–360 K. Furthermore far infrared spectra of the undeuterated and partly deuterated compound in nujol mulls were recorded at 292 and 85 K. The stretch frequencies of the uranyl group which in this compound appears to be linear and symmetric, were observed at extremly low values, viz. νs at 783 cm−1 (R) and νas at c. 850 cm−1 (i.r.). The spectroscopic evidence confirmed the strong degree of hydrogen bonding which involves the uranyl group and all hydrogen atoms, even those of the hydroxylamino group. A small but complete correlation field splitting was observed especially in the case of the νs (NO) vibration at 919 (B1g), 921 (Ag), 923 (B2g) and 925 cm−1 (B3g) in agreement with the predictions of a factor‐group analysis.
Etude Vibrationnelle par Spectrométrie Raman en Phase Vapeur du Benzène d3. Détermination des Constantes de Coriolis des Espéces E′ et E″
Authors: Chapput André , Guy Fleury Bernard Roussel 
Published: May 2005

AbstractThe gas phase Raman spectrum of benzene d3 has been recorded at medium resolution. The band contours of E′ and E″ degenerate species have been observed and their computer simulation has allowed the determination of the Coriolis constant values. Five fundamental bands of E′ symmetry and two of E″ symmetry have been computed. This analysis has given the values of ζ6, ζ8, ζ9, ζ19, ζ20 (E′), ζ10, ζ16, (E″). ζ18 (E″) has been calculated from the zeta sum rules.
Low temperature Raman measurements of carbon monoxide adsorbed on nickel at high pressures
Authors: Krasser W. , Ranade A. , Koglin E. 
Published: May 2005

AbstractThe Raman spectra of carbon monoxide adsorbed on Raney nickel and on supported SiO2 are measured at high pressures and low temperatures with a rotating cell. In addition to the vibrational bands of adsorbed Ni(CO)4, we find three band systems of CO stretching vibrations at high wavenumbers and several bands at low wavenumbers. The CO stretching vibrations agree with infrared spectra.
Raman intensities: Transferability of electrooptical parameters
Authors: Gussoni Mariangela , Abbate Sergio , Zerbi Giuseppe 
Published: May 2005

AbstractIn this paper the electrooptical theory of valence for the study of Raman intensities is reanalysed and extended to the case of non‐cylindrical tensors. The advantages of this theory with respect to other methods are described. The transferability of electrooptical parameters to other molecules (isotopic derivatives or chemically similar molecules) is discussed and some examples (methane and cyclohexane) are presented.
Polymorphism in zinc chloride—a Raman spectral study
Authors: James David W. , Parry Robyn M. , Leong W. H. 
Published: May 2005

AbstractThe Raman spectra of the three reported phases of zinc chloride are reported. In addition, a new high temperature phase is spectroscopically identified. The spectrum of phase IV is completely assigned. The spectrum of phase II indicates spatial disorder, while those of phases I and III are compatible with completely ordered structures.
Absolute Raman intensities of cyanogen
Authors: Warsop P. A. , Montero S. 
Published: May 2005

AbstractThe absolute Raman intensities as well as the depolarization ratios of the vibrational modes ν1, ν2, ν4and 2ν4of cyanogen in the gas phase are reported. These data are interpreted on the basis of the bond polarizability theory. From this interpretation it seems reasonable to assign localized CN bond polarizabilities to the cyanogen molecule.
Systematic interpretation of Raman spectra of organic compounds. III—carbonyl compounds
Authors: Visser T. , van der Maas J. H. 
Published: May 2005

AbstractThe Raman spectra of 220 carbonyl‐containing compounds have been recorded. The characteristic frequencies are reported. Correlations between frequencies and structure have been investigated. The collected data have been incorporated into a formerly developed and outlined interpretation system for CH, OH and O compounds. Difficulties in modifying the old system are discussed and a schematic survey of the new system is given.
Gitterschwingungsspektren. XIX—infrarot‐ und Ramanspektren von BaBr2·2H2O und BaBr2·2D2O
Authors: Lutz H. D. , Pobitschka W. , Frischemeier B. , Becker R. A. 
Published: May 2005

AbstractLow temperature infrared and Raman spectra of polycrystalline BaBr2·2H2O at different degrees of deuteration are studied in the frequency range from 4000 to 30 cm−1. The single peaks observed for the bending fundamentals of isotopically dilute H2O and D2O show that the molecules of the water of crystallization are equivalent, as required by Bang's structure determination. The singlets observed for the three fundamentals of isotopically dilute HDO show that there is a symmetric force field in the water molecules which is not predicted from the structure determination. In BaBr2·2H2O weak hydrogen bonds to the bromine ions are present which are largely bent. From the shift of the stretching modes relative to the frequencies of free water the hydrogen bond enthalpy was found to be 20 kJ. The temperature shifts of all the stretching modes are positive, which is not in agreement with Falk's results on bent hydrogen bridges. The internal modes and the twisting libration of the water molecules show an unusual large correlation splitting due to intermolecular coupling of the vibrations of the two water molecules in the 2Br−·2H2O structure unit.
Raman study of phase transitions in plastic solid 1,12‐dicarbaclosododecaborane (para‐carborane)
Authors: Leites L. A. , Bukalov S. S. 
Published: May 2005

AbstractThe infrared and Raman spectra of solid 1,12‐dicarbaclosododecaborane have been studied over the temperature range 10–320 K. Three phases exist in this temperature range. Phases I and II are plastic; phase III is ordered.
Vibrational study of 15N and D substituted guanines in acid and basic solutions
Authors: Delabar Jean‐Maurice 
Published: May 2005

AbstractAcid and basic solutions of 15N and D substituted guanines have been investigated by infrared and Raman spectroscopy. Monoanion and dianion formation have been followed by spectra changes; N7, N9H tautomery has also been studied by comparing with methylated derivatives. Assignment of the band frequencies have also been proposed. Analysing 15N results have permitted precise comparisons between the neutral form spectra and the anionic or cationic form spectra.Abbreviations used: IUPAC‐IUB abbreviations are used throughout: m7−Gua or m7 ‐guanine: 7‐methyl‐guanine, etc.
Calculation of the mean polarizability derivatives of hydrocarbon molecules
Authors: Svendsen E. Nørby , Tangaa John 
Published: May 2005

AbstractThe mean polarizability derivatives of CH4, C2H2, C2H4 and C2H6 are calculated through a variational procedure. Satisfactory numerical results are obtained using the CNDO approximation with polarization functions included in the basis set. The frequency dependence of the means polarizability derivative is examined, and the separate contributions from σ and π electrons are calculated for the ethylene molecule.
Molecular interactions and Raman polarization: The depolarization ratio and the Raman isotropic and anisotropic profiles of HCl in various solvents
Authors: Desbat B. , Huong P. V. 
Published: May 2005

AbstractThe isotropic and anisotropic Raman spectra of a diatomic molecule, HCl, have been recorded in the gaseous state, in the liquid state and in solution in various solvents giving increasing interaction with the solute. It will be shown that the depolarization ratio increases with the interaction forces with the solvent, reflecting the appearance of an induced polarizability by molecular interaction on the solute. A linear relationship has been obtained between the ratio of the polarizability component derivatives (α‖/α⟂) and the frequency shift (Vgas—Vsolution). A non‐coincidence of the maximum of the isotropic and anisotropic spectra is also observed and interpreted as resulting from a frequency distribution of a series of solute molecules, involved differently in the interaction with the solvent.
Preresonance Raman scattering of overtones: The scattering of two overtones of benzene in the ultraviolet
Authors: Ziegler L. D. , Albrecht A. C. 
Published: May 2005

AbstractRaman scattering of two vibrational overtones of benzene is found to undergo strong preresonance enhancement as the excitation frequency approaches the 1B2u state, the lowest lying, forbidden electronic transition at 265 nm. These preresonance active modes are the first overtone of the 606 cm−1 e2g fundamental, which is responsible for the vibronically induced 1B2u intensity, and the first overtone of the 848 cm−1 e1g fundamental, an out‐of‐plane CH bending mode. In order to treat this overtone preresonance Raman behavior theoretically, the molecular polarizability is consistently expanded to second order in nuclear displacements, and thus we consider all preresonance contributions of this order. The leading contributions of strictly dipole‐forbidden electronic transitions to the scattering cross‐section of overtones are exposed. Within this theoretical context it is seen how scattering cross‐section for each of these resonance active overtones is derived from different sources. The preresonance scattering of the 606 cm−1 overtone results from the vibronic activity of this fundamental in the 1B2u transition. On the other hand, the 848 cm−1 overtone derives its 1B2u resonance activity from the change in its fundamental frequency (to 585 cm−1) in this excited electronic state. Furthermore, the 848 cm−1 overtone activity is built upon signifficant background preresonance contributions from other higher lying electronic transitions.
Vibrational perturbation: A chemical aid to assignment. I—Fermi resonance in the ν8 region of isotopic pyridines
Authors: Stidham Howard D. , Dilella Daniel P. 
Published: May 2005

AbstractComplete Raman data are reported for the ν1, ν6 and ν8 regions of the vibrational spectra of the C2ν deuterium‐labeled pyridines and of their water complexes. Raman data are given for frequency shifts observed when some of these pyridines are dissolved in a selection of hydrogen‐bonding solvents. The complicated ν8 region is afforded definitive assignment based on Fermi resonance between the A1 component of ν8 and the A1 combination tone ν1 + ν6a, as well as on the ways in which these resonances are made or broken when hydrogen‐bonded complexes are formed with the deuterium‐labeled pyridines.
Raman spectra of carbon monoxide adsorbed on oriented crystalline nickel surfaces
Authors: Stencel J. M. , Bradley E. B. 
Published: May 2005

AbstractRaman spectral results for CO adsorbed at high pressures on Ni(100), Ni(110) and Ni(111) are presented. The bands near 2020 cm−1 due to chemisorbed CO are discussed in relation to site of adsorption and surface cleanliness. Raman spectra of temperature and pressure‐dependent CO adsorption on Ni(100) are also presented.
Raman and infrared spectra of crystalline hydrogen iodide and deuterium iodide
Authors: Anderson A. , Torrie B. H. , Tse W. S. 
Published: May 2005

AbstractRaman and infrared spectra of the three phases of crystalline HI and DI have been recorded, and mode frequencies corresponding to molecular vibrations, librations and translations are identified. A comparison with the spectra of solid HCl and HBr confirms that only the low temperature phase has an ordered structure. A simple force constant model is described which is used to assign the observed frequencies for this phase.
A 180° microscope sampling and viewing attachment for a laser Raman spectrometer
Authors: Cook B. W. , Louden J. D. 
Published: May 2005

AbstractA backscattering collection and viewing system for Raman spectroscopy using a microscope is described. Provision of both 90° and 180° collection systems permanently attached to the same monochromator results in a very powerful analytical spectrometer for all solid, liquid and gaseous samples.
An improvement in the Raman spectrometry of very thin films
Authors: Delhaye Michel , Dupeyrat Monique , Dupeyrat René , Lévy Yves 
Published: May 2005

AbstractCoupling an oblique angle laser illumination system to a four‐media sample structure and a Raman microprobe spectrophotometer allowed us to obtain non‐resonant Raman spectra of very thin Langmuir–Blodgett films. Spectra of films as thin as 75 Å were recorded.