bluuebunny/crossref_metadata_2025 huggingface dataset:
Expression of the rat brain creatine kinase gene in C6 glioma cells
Authors: Wilson C. D. , Parameswaran B. , Molloy G. R.
Published: May 2005

We have recently shown that while brain creatine kinase (CKB) mRNA was detectable in RNA from cultured primary rat brain neurons, CKB mRNA was about 15‐fold higher in primary astrocytes and 17‐fold higher in oligodendrocytes (Molloy et al., J Neurochem 59:1925–1932, 1992). To begin to understand the molecular mechanisms responsible for brain glial cells containing the highest levels of CKB mRNA in the body, we have examined the expression of rat CKB mRNA in established C6 glioma cells. RNase‐protection analysis showed the endogenous CKB mRNA levels in exponentially growing C6 were high and measured 50% of that in total RNA from rat brain lysate and 60% of that in cultured primary astrocytes and oligodendrocytes. The 5′ and 3′ ends of CKB mRNA in C6 were mapped to the same nucleotides as CKB mRNA from rat brain, indicating that the sites of in vivo transcription initiation and termination/polyadenylation of CKB mRNA in C6 are the same as in total rat brain RNA. The level of CKB enzyme activity in C6 whole cell lysates was among the highest of the glial cell lines which we measured. All creatine kinase enzyme activity present in C6 was found in the dimeric CKB isoform (BB), which is characteristic of CKB expression in the brain. A 2.9 kb gene fragment containing the basal CKB promoter and far‐upstream 5′ sequences was cloned upstream of the chloramphenicol acetyltransferase (CAT) gene and transfected into C6 cells. CAT activity was readily detectable in C6 and mapping of the 5′ end of the CAT mRNA showed that transcription was directed from the correct initiation site. Since we found C6 cells were difficult to transfect, conditions were established which both maximized transfection efficiency and maintained normal C6 cell morphology. These results should permit the future identification of the nuclear trans‐acting factors and the cognate cis‐acting regulatory elements responsible for high CKB mRNA expression in brain glial cells. © 1993 Wiley‐Liss, Inc.
High resolution Raman spectroscopy of gases with laser sources. VI. The rotaitional spectra of 1,3,5‐trifluorobenzene and hexafluorobenzene
Authors: Schlupf Joseph , Weber Alfons
Published: May 2005

The pure rotational Raman spectra of 1,3,5‐trifluorobenzene and hexafluorobenzene have been photographed under high resolution using a single mode argon laser as the exciting source. The observed spectra consist of sharp, highly symmetric lines which form well developed R‐ and S‐branches. The analysis of the spectra was performed on the basis of the theory of the non‐rigid, symmetric top rotor. The following ground state constants were determined. For 1,3,5‐trifluorobenzene, Bo = 0.0586517 ± (5 × 10−7) cm−1 and Dj = (1.89 ± 0.04) × 10−9 cm−1; for hexafluorobenzene, Bo = 0.0343165 ± 9 × 10−7 cm−1 and Dj = (0.70 ± 0.04) × 10−9 cm−1. The CF bond lengths for these molecules were determined by assuming the values of the carbon ring parameters of benzene. The CF bond lengths (r0‐values) of 1,3,5‐trifluorobenzene and hexafluorobenzene are then, respectively, 1.304 Å and 1.321 Å. These values are in good agreement with the CF bond lengths determined by means of the electron diffraction technique.
Spectra and structure of small ring compounds. XXXVI. 2‐methyl‐1,3‐dioxolane; 2‐methyl‐1,3‐dioxolane‐d4; 2‐methyltetrahydrofuran; and methylcyclopentane
Authors: Durig J. R. , Kizer K. L. , Karriker J. M.
Published: May 2005

The infrared spectra of solid, liquid and gaseous 2‐methyl‐1,3‐dioxolane, 2‐methyl‐1,3‐dioxolane‐d4, 2‐methyltetrahydrofuran, and methylcyclopentane were recorded from 4000 to 33 cm−1. The Raman spectra were also recorded and depolarization values were measured for 2‐methyl‐1,3‐dioxolane and methylcyclopentane. The fundamental vibrations of each compound have been assigned on the basis of group frequency correlations, isotopic shifts, and band intensities as well as depolarization values when applicable. The barrier hindering internal rotation of the methyl group has been calculated to be 3.5, 3.6, and 4.2 kcal mole−1 for 2‐methyl‐1,3‐dioxolane, 2‐methyltetrahydrofuran, and methylcyclopentane, respectively. The pseudorotational ring vibration was observed at 58 and 56 cm−1 for gaseous 2‐methyl‐1,3‐dioxolane and 2‐methyltetrahydrofuran, respectively. This implies a barrier to pseudorotation of the order of 1.3 kcal mole−1 for 2‐methyl‐1,3‐dioxolane and 2‐methyl‐tetrahydrofuran. The pseudorotational mode could not be observed for methylcyclopentane, even at maximum pressure‐path length condition.
Phonon and polariton spectra of β‐quartz
Authors: Fries J. , Claus R.
Published: May 2005

Raman scattering experiments on single crystalline quartz in the high temperature phase (β‐quartz) have been carried out. In order to obtain a complete assignment of all polar Raman active modes different scattering geometries with phonon wave vectors parallel and perpendicular to the optic axis have been used. These experiments allowed the identification of the hitherto missing longitudinal E1‐modes. Finally near forward scattering made the observation of ordinary polaritons associated with transverse polar phonons of symmetry E1 possible. The experimental data are compared with theoretical curves and show good agreement.
Raman spectra of crystalline carbon suboxide
Authors: Smith William Hayden , Bates John B.
Published: May 2005

Raman spectra of the two crystalline phases of carbon suboxide were recorded in an attempt to identify overtones of v2 and v7. The results are discussed with regard to the v2 and v7 potentials in condensed phases, and a recently proposed structure of the high temperature crystal form of C3O2 is considered in view of the observed spectra.
Ammonia in the liquid state and in solution: A Raman study
Authors: Gardiner D. J. , Hester R. E. , Grossman W. E. L.
Published: May 2005

Raman spectra are reported for liquid ammonia and ammonia in solutions covering wide concentration ranges in both carbon tetrachloride and acetonitrile. The spectra, all of which were obtained at room temperature, show a number of features which are attributed to association between ammonia molecules and, in the case of the acetonitrile solution, to ammonia‐solvent interactions. The spectra indicate the existence of essentially free rotation of ammonia molecules in dilute solutions in carbon tetrachloride, but also show new bands characteristic of associated species at high concentration in both solvents and in the pure liquid state. Previous uncertainlty about the assignment of bands in the NH stretchin multiplet of the liquid ammonia spectrum has been removed, and it has been demonstrated that Fermi resonance plays only a small role in this region.
A Raman instrument for rotation‐vibrational spectra using laser excitation
Authors: Brodersen Svend , Bendtsen Jørgen
Published: May 2005

A description is given of an instrument designed for the registration of rotation‐vibrational Raman spectra. The gas sample cell has a volume of 20 ml and forms one end of the cavity of an argon‐ion laser. The laser beam is focused to a diameter of 50 μ inside the cell. The scattered light passes a double premonochromator and is registered photographically in a grating spectrograph.

The resolution obtained is about 0.3 cm−1, determined by the pressure broadening in the sample. The detectability for weak lines is high, as demonstrated by the observation of previously unobserved vibrational bands.

The instrument may also be used for pure rotational Raman spectra, primarily for weak scatterers. A pure rotational spectrum of CO2 is obtained in an exposure of ½ min.
The Raman spectrum of polycrystalline fluorotrichloromethane
Authors: Shurvell H. F.
Published: May 2005

Raman spectra of polycrystalline films of CFCl3 have been recorded at 77K. Chlorine isotope splittings have been observed for four of the six fundamentals in agreement with predictions. The degenerate CCl stretching band ν4 shows evidence of both site and factor group splitting and possibly LO and TO components. To account for the observed splittings it is suggested that solid CFCl3 has a non‐centrosymmetric orthorhombic crystal structure at 77K.
Complete polarization measurements for non‐symmetric Raman tensors: Symmetry assignments of ferrocytochrome C vibrations
Authors: Pézolet Michel , Nafie Laurence A. , Peticolas Warner L.
Published: May 2005

The three invariants of the Raman tensors of eight strong Raman active vibrations of ferrocytochrome c have been determined using both linearly and circularly polarized light at 5145 Å. The relative intensities of the perpendicular, parallel, contrarotating and co‐rotating components have been measured and analysed by the method of McClain to obtain the symmetry assignment of each of these vibrations; the symmetry group of the heme is believed to be Cs showing a plane of reflection as the only symmetry element. Since the lowering of the symmetry of the heme group is due to hemeprotein interactions, Raman Polarization measurements appear to offer a new probe for obtaining the strength of such interaction.
The Raman spectra of cadmium iodide
Authors: Montero S. , Kiefer W.
Published: May 2005

Raman scattering experiments on polytype CdI2 single crystals have been carried out. A very narrow band – not found before – was detected at 15.8 cm−1 and assigned to the E2 mode of the polytype 4H with space group C. Two further bands at 45.1 and 111.3 cm−1 are assigned to E and A modes respectively from vibrations of the polytypes with C, C and D symmetry. Calculated symmetry coordinates, intensity and halfbandwidth considerations support the proposed assignment. Comparision of the frequencies of the A1 and E1 modes in single crystals of the cadmium halides CdCl2, CdBr2 and CdI2 show very similar bond forces between the cadmium and halogen layers.
Vibration‐rotation interaction in the gas‐phase Raman spectrum of ethylene
Authors: Nemes L. , Suzuki S.
Published: May 2005

The gas‐phase Raman spectrum of the v8 band of ethylene has been analysed for Coriolis perturbation due to a‐type interaction between v8(b2g) and v6(b1g). The main rotational features in the vibration‐rotation band have been assigned and the analysis yielded v8 = 940.6 cm−1, |ζ| = 0.67 ± ± 0.08.
Vibrational spectra of isotopically substituted metal carbonyls. IV: [1] Raman spectra of Mn (12CO)5Br and Mn(12CO)4(13CO)Br (present in natural abundance) at 15K
Authors: Butler Ian S. , Shaw C. Frank
Published: May 2005

The low temperature (15K) Raman spectrum of Mn(CO)5Br has been recorded under high resolution conditions in the 2150–1900 cm−1 and low frequency (below 700 cm−1) regions using Kr+ laser excitation (647.1 nm). The spectrum indicates that there is no phase change between room temperature and 15K. Several Raman‐active CO stretching bands of the principal mono‐isotopic species Mn (12CO)4(13CO)Br present in natural abundance (1% axially substituted and 4% equatorially substituted) have been observed for the first time and assigned on the basis of a CO‐factored force field calculation. The reasons why it is felt that bands due to dilute isotopic species such as 13CO are not observed routinely in the Raman, in contrast to the infrared, are discussed.
Optical phonons in α‐NiSO4·6H2O single crystal
Authors: Jain Y. S. , Bist H. D. , Verma A. L.
Published: May 2005

Laser excited Raman spectra of a single crystal of α‐NiSO4·6H2O have been attributed to the phonons originating only from the Raman active modes of isolated H2O (C2v), SO (Td) and Ni(H2O) (Oh) units. It has been shown that Th symmetry considered earlier for NI(H2O) complex by Jager and Schaack is not consistent with the crystal structure of α‐NiSO4·6H2O and results in an erroneous symmetry classification of 288 phonon branches of the unit cell. A correct classification of these branches is reported. It is inferred that the SO and Ni(H2O) polyhedra do not show large distortions from their respective Td and Oh symmetries at room temperature.
On the Raman spectra of cyclopentadienyl rare earth complexes
Authors: Aleksanyan V. T. , Borisov G. K. , Devyatych G. G. , Gächter B. F. , Koningstein J. A. , Schneider B. E.
Published: May 2005

A comparison is made of the 300 K Raman spectra of some cyclopentadienyl rare earth complexes. The data show no major change in the position of corresponding bands of the series. A detailed study is carried out in the spectral region of 150 cm−1 at 77 K of the samples. Some evidence of electronic Raman effects is presented.
Resonance Raman scattering and vibronic coupling in aquo‐ and cyano‐cobalamin
Authors: Galluzzi F. , Garozzo M. , Ricci F. F.
Published: May 2005

The resonance Raman spectra of cyano‐and aquocobalamin have been obtained from aqueous solutions. In order to check the vibronic theory of Raman intensity in the rigorous resonance case, the excitation profile of the 1502 cm−1 vibration was measured and analyzed using a model of two displaced harmonic oscillators for the ground and the resonant electronic state. A very good agreement is shown between the calculated and the experimental values of both the excitation profile and the absorption spectrum. Information on the corrin ring symmetry and evaluation of the vibronic interaction energies have been obtained. The appearance of several overtones and combinations is also reported.
L'étude vibrationnelle du paraquat
Authors: Benchenane A. , Bernard L. , Théophanides T.
Published: May 2005

Raman and IR spectra of solid powders and solutions of paraquat and derivatives are reported. The fundamental vibrations of each compound have been assigned on the basis of group frequency correlations, isotopic substitution (shifts) and band intensities, as well as depolarization values when applicable.
A systematic approach to the structure elucidation of carbon‐hydrogen and hydroxy compounds by means of Raman spectroscopy with laser sources
Authors: van Der Maas J. H. , Visser T.
Published: May 2005

A systematic procedure for the interpretation of Raman spectra of carbon‐hydrogen‐ and alcoholic compounds is outlined.

The system – based on logical yes/no decisions – gives information on the structure elements present in an unknown molecule.

Hardly any interpretation experience is required.

The system as developed so far is presented.
Calibration of the absolute spectral response of Raman spectrometers
Authors: D'orazio M. , Schrader B.
Published: May 2005

A system for the calibration of the absolute spectral response of spectrometers is described using a standard reflector ‐ of the type used especially for colour measurements – as a secondary light source. In contrast to conventional light sources for calibrations, the radiance is approximately constant over the whole area of the source, and the angular characteristic is known for a large range of reflection angles φ. A special advantage is that the angular characteristic follows closely the Lambert‐cosine‐jaw in the region φ∼45°. The radiant flux can be calculated exactly for various experiemental conditions, especially for Raman spectroscopy.
Raman spectrum of the addition compound of uranium and phosphorus pentachlorides (UCl5,·PCl5) and its structure
Authors: Shamir Jacob , Silberstein Atara
Published: May 2005

The Raman spectrum of the addition compound of PCl5 · UCl5 was recorded. In all, seven major lines were observed. The results were interpreted as supporting the ionic structure of PCl UCl, the cation having a Td symmetry and the anion an Oh symmetry.
Raman microprobe and microscope with laser excitation
Authors: Delhaye M. , Dhamelincourt P.
Published: May 2005

New devices, have been developed to generate maps or images of heterogeneous samples using a characteristic Raman frequency line and to obtain the surface distribution of a given compound.

Samples are illuminated by a laser beam causing Raman lines of the different substances to be emitted. Different techniques using a triple monochromator or a holographic grating system are described. Several examples of Raman images of heterogeneous samples are presented.
Effect of Na+ ion concentration on tRNA conformation in solution studied by laser Raman spectroscopy
Authors: Dobek A. , Patkowski A. , Labuda D. , Augustyniak J.
Published: May 2005

Raman spectra of baker's yeast tRNA in NaCl aqueous solutions were measured as a function of sodium ion concentration throughout the 0–1.0 M range. Strong variations in intensity of the various bands allowed observation of the ionic strength‐dependent conformational transitions of the tRNA. The experimental data obtained point to the existence of five distinct conformations of the tRNA molecules in the range of Na+ concentration investigated.
Vibrational spectra of bromotetracarbonylnitrosyltungsten (I), W (CO)4 (NO) Br
Authors: Butler Ian S. , Shaw C. Frank
Published: May 2005

Solid‐state and solution IR and laser Raman spectra have been recorded for bromotetracarbonylnitrosyltungsten (I), W(CO)4 (NO) Br, in the CO and NO stretching regions and in the region below 750 cm−1. The vibrational data are consistent with a trans‐C4v symmetry for the complex and assignments have been proposed on the basis of this geometry. The assignments for the CO and NO stretching regions, including those for the weak satellite peaks due to W(12CO)3 (13CO) (NO) Br (present in 4% natural abundance), have been verified by an energy‐factored force field calculation.
Low frequency scattering from water and aqueous solutions
Authors: James David W. , Irmer Raimund
Published: May 2005

A technique for separating the Rayleigh scattering from the quasielastic Raman scattering in aqueous solutions is developed. Results are presented for a series of solutions of lithium chloride.
Raman scattering study of the liquid crystal PPU
Authors: Shen T. Y. , Mitra S. S. , Brown C. W.
Published: May 2005

Raman spectra of the liquid crystal PPU [p‐(p‐ethoxyphenylazo)‐phenyl undecylenate] have been measured as a function of temperature covering all phases. A pronounced hysteresis which involves a new state has been observed during the crystalline‐nematic transition. The Raman intensities in the nematic phase show a temperature dependence in the presence of an external magnetic field.
A study of the internal frequency region (400–4000 cm−1) of the Raman spectrum of a single crystal of sodium ammonium sulphate dihydrate, NaNH4SO4·2H2O over the temperature range 293–87K
Authors: Fawcett V. , Long D. A. , Sankaranarayanan V. N.
Published: May 2005

The Raman spectra in the region 400–4000 cm−1 of single crystals of NaNH4SO4·2H2O in various orientations are reported for the temperature range 293–87K. NaNH4SO4·2H2O undergoes a transition at 101 K from a paraelectric phase to a ferroelectric phase. The changes in the Raman spectra of the constituent species, NH, SO and H2O as the temperature is lowered indicate that below the phase transition there are non‐equivalent ions in the unit cell. The abruptness of the spectral changes at 101 K suggests a large lattice distortion in accord with the predictions of magnetic resonance studies.
Raman spectroscopic studies of urea/n‐paraffin clathrates
Authors: Fawcett V. , Long D. A.
Published: May 2005

Urea/n‐paraffin clathrates enable Raman spectroscopic studies of oriented single n‐paraffin molecules in the extended planar zig‐zag configuration to be made. Raman spectra in the region 0–3500 cm−1 are reported for various orientations of single crystals of the following urea and urea‐d4/n‐paraffin clathrates: urea/n‐tetradecane, urea/n‐hexadecane and urea/n‐undecane. Assignments have been made for the vibration of the urea host lattice and the guest n‐paraffin molecules in the extended planar zig‐zag configuration, utilising the orientation measurements.
Liaison Hydrogene en Phase Liquide et Spectrometrie Raman. I: Alcools liquides purs
Authors: Perchard C. , Perchard J. P.
Published: May 2005

The vOH (OD) bands of some liquid alcohols (three primary, two secondary and one tertiary), have been studied over a wide temperature range with regard to: (i) band position as a function of temperature, (ii) band intensity and depolarization ratio as a function of temperature and physical state.

From studies of (i), the long chain polymer structure is confirmed; and the diagonal and interaction force constants FOH and ƒOH are calcualated between 295 K and the melting point. From studies of (ii), it is shown that the intensity in the liquid phase is temperature independent as long as autoassociation is preponderant: however from relative intensity measurements (gas to liquid) the scattering activity \documentclass{article}\pagestyle{empty}\begin{document}$ \left({45\bar \alpha ^{'2} + 7{\rm \gamma}^{{\rm '2}}} \right) $\end{document} is seen to increase by a factor of two as a result of autoassociation; and the depolarization ratio increases by a factor of two from dilute solution to pure liquid.

These results are discussed in the light of the bond polarizability theory; it is concluded that the α′l/α′p ratio for the OH band changes considerably on formation of an hydrogen bond. This can be explained in terms of the Orville Thomas pulsed cloud model.
Raman spectra of iodine derivatives of tyrosine and thyronine
Authors: Loh Eugene
Published: May 2005

The Raman spectra of iodine derivatives of tyrosine and thyronine exhibit strong peaks in the region ≲400 cm−1 and may be described by analogous vibrations of benzene as:

the C—I out‐of‐plane bendings of E1g mode from 120 cm−1 to 180 cm−1

the C—I in‐plane bendings of E2g and A2g mode from 190 cm−1 to 330 cm−1 and

the C—I stretchings of E2g mode from 240 cm−1 to 400 cm−1

In triiodo‐derivatives, the number of both the CI in‐plane bendings and CI stretchings on the inner phenyl ring approximately doubles from that of diiodo‐derivatives presumably due to the modulation caused by the iodine‐sensitive libration of the outer phenyl ring.
Vibrational analysis of polyene chains. Assignments of the resonance Raman lines of poly (acetylene) and β‐carotene
Authors: Inagaki Fuyuhiko , Tasumi Mitsuo , Miyazawa Tatsuo
Published: May 2005

The normal frequencies and vibrational modes have been calculated for two models of an infinite polyene chain using a modified Urey‐Bradley force field. The vibrational modes giving rise to strong resonance Raman lines have been elucidated on the basis of the results of the calculation.
Raman spectra of gases. XVII: Two‐quantum torsional transitions in some methyl‐substituted small ring compounds
Authors: Durig J. R. , Lopata A. D. , Wurrey C. J.
Published: May 2005

Methyl torsional overtones (Δv = 2) have been observed for methylcyclopropane, propylene oxide, propylene sulfide, cis‐propylene imine, trans‐propylene imine, methylcyclobutane, and methylcyclopentane in the Raman effect. From the observed shifts, barriers to internal rotation have been calculated in the vapor state to be 2.95, 2.58, 3,26, 2.97, 2.51, ≥ 2.47, and 2.61–3.03 kcal mole−1, respectively. For this set of compounds the torsional overtones are difficult to identify because they fall very close to the methyl bending modes. Also, for the four‐ and five‐membered rings, interference was found from the low frequency ring motions. In general, the torsional overtones were not nearly as intense as those previously observed for the halogen substituted et hanes.
Raman spectroscopic studies of soaps, and soap‐water systems as a function of temperature
Authors: Faiman Rosalind , Long D. A.
Published: May 2005

The vibrational Raman spectra of a number of soap‐water systems (water content range 0–90%) over the temperature range 0–150°C are reported. Changes in the Raman spectra with temperature can be interpreted in terms of structural changes, particularly of the conformations of the paraffin chains. The results suggest that Raman spectroscopy is potentially useful for the study of the more complex lipid‐protein‐water systems that constitute biological membranes and for which these soap‐water systems serve as simple models.
Raman study on para nitroaniline single crystal. II: Internal Vibrations
Authors: Harrand M.
Published: May 2005

The assignment of the Raman frequencies from 200 to 1800 cm−1 has been made taking into account the values calculated by Brandmüller et al. for a planar molecule since only the H atoms of NH2 are out of the plane. In the crystal the V line is unusually weak and the 1276–1284 cm−1 broad band is extremely strong: its complexity is explained by a Fermi resonance whose development can be followed with temperature variations. On the other hand the line of the deuterated pNA is always sharp because the resonant combination is related to a NH2 vibration. The observation of this Fermi resonance confirms the non‐planar structure of the molecule in the crystal.
Resonance Raman effect in matrix isolated photolytically produced monomeric iodine: An investigation of the excitation profiles of the overtones
Authors: Grzybowski Joseph M. , Andrews Lester
Published: May 2005

High intensity resonance Raman overtone progressions out to ν = 3, 14, 23, 24, 25, 17, and 3 have been observed with 457.9 nm, 476.5 nm, 488.0 nm, 514.5 nm, 530.9 nm, 568.2 nm, and 647.1 nm excitation respectively, for monomeric iodine isolated in an argon matrix. The normalised intensities have been determined and plotted as excitation profiles for the overtones. There is substantial evidence indicating a resonance coupling not only with the 3∏Ou+ electronic state of I2, but also with the 1∏1u state. The following spectroscopic constants for matrix‐isolated iodine have been calculated from the wavenumber data: ωe = (213.70±0.22) cm−1, ωeXe = (0.60±0.01) cm−1, and ωeYe = (−0.019±0.002) cm−1.
Indirect coupling of the soft optic phonon in KH2PO4
Authors: Mazzacurati V. , Signorelli G. , Sampoli M.
Published: May 2005

The shape of the low frequency first‐order Raman spectrum of KDP single crystals in the x(y, x)y configuration is discussed. Two and three coupled oscillators models are used to explain the spectral region up to 270 cm−1. The inadequacy of such models in describing the experimentl data is analyzed, and a model in which two optic phonons are coupled via their decay into two acoustic phonons is proposed. The spectra in the para‐electric phase are thus well accounted for by a soft optic phonon interacting via the two‐phonon continuum with a temperature‐independent lattice mode. This picture is found to be consistent with a quite reasonable shape of the joint‐density of states for the acoustic phonons. Finally the proton‐phonon interaction hypothesis is briefly reconsidered from this point of view.
Observation of the accordion band in the Raman spectra of the alkylbenzenes
Authors: Behroozi F. , Priest R. G. , Schnur J. M.
Published: May 2005

A study of the Raman spectra of solid and liquid alkylbenzenes was made. The band associated with the accordion mode of the alkyl chain tail was identified in the spectrum of each member of the series studied. A successful model for the dependence of the accordion band frequency on alkyl chain length was developed. Bands associated with kinked alkyl chain conformations were also observed.
The conformational analysis of cis‐3,4‐Dimethylcyclopentanone. I: the vibrational spectra
Authors: Sablayrolles C. , Granger R. , Bardet L.
Published: May 2005

The study of vibrational spectra of cis‐3,4‐dimethylcyclopentanone shows that this molecule belongs to the C1 symmetry group, with a half‐chair conformation.
A method for background light rejection in multiplexed rotational Raman spectroscopy with Fabry–Perot interferometers
Authors: King Robert A. , Smith Wm. Hayden
Published: May 2005

The feasibility of using Fabry–Perot interferometers in the remote sensing of gaseous pollutants via their rotational Raman spectra depends upon the development of a method of rejecting back‐scattered light arising from Mie scattering from dust, Rayleigh, and Raman scattering from the abundant gases in the region being observed. We present measurements of the rejection of Rayleigh and rotational Raman light using Fabry–Perot interferometers in reflection to demonstrate a method of reducing background interference by more than two orders‐of‐magnitude.
Ramanspektren im nahen Infrarot: Ein Vergleich dreier Detektorsysteme
Authors: Nippus Michael
Published: May 2005

Raman spectra of various samples, excited by an YAG:Nd‐Laser at 1,06 μm, were recorded by three detection systems. A comparison was made of the detectivity of the infrared‐Raman system against a visible Raman system working at 0,6471 μm.
The polarized Raman and infrared spectra of K2[RuCl5NO]
Authors: Tosi Lucia
Published: May 2005

Polarized infrared and Raman spectra of K2[RuCl5NO] and (NH4)2[RuCl5NO] have been obtained and a precise assignment of the four RuCl stretching modes has been made. The lower frequency vibration is unambiguously assigned to the axial RuCl stretch in agreement with previous findings based on substitution of the axial (trans to the NO group) halogen ligand. The results are discussed in terms of Mössbauer data and population analysis.
Raman spectra of gases. XIX–The low frequency gaseous phase Raman spectra and the barriers to internal rotation of the 1,1,1‐trifluoroethyl halides
Authors: Lopata A. D. , Durig J. R.
Published: May 2005

The gaseous phase Raman spectra of CF3CH2I, CF3CH2Br, CF3CH2CI and CF3CH2F have been investigated and the barriers to internal rotation determined. The torsional fundamentals were observed to be unusually strong, depolarized bands, and several Δν = 2 torsional transitions were measured for all compounds. Torsional transitions originating from excited states of the skeletal bend were also observed for CF3CH2CI and CF3CH2F. The torsional barriers found were: CF3CH2I, 4.16 ± 0.11; CF3CH2Br, 4.39 ± 0.07; CF3CH2CI, 4.88 ± 0.03 and CF3CH2F, 3.58 ± 0.14 kcal mol−1.
A computer‐controlled photometer for measuring Raman spectra recorded on photographic plates
Authors: Brodersen Svend , Rasmussen Finn , Bendtsen Jørgen
Published: May 2005

The construction and the operation of a photometer for measuring photographic plates is described. It works fully automatically, controlled by a computer, assigns the comparison spectrum and delivers a microphotometer trace on a linear frequency scale. All the information present on the photographic plate is extracted without the addition of noise to the data. The precision in the determination of the line positions is 0.4 μm.
Single crystal Raman spectra and lattice vibrations of purine
Authors: Bougeard D. , Lautié A. , Novak A.
Published: May 2005

The Raman spectra of a purine single crystal have been studied in the 200 to 5 cm−1 region. Far infrared spectra of oriented needles have been recorded for comparison in the 250 to 15 cm−1 range. Sixteen of the twenty‐one expected lattice vibrations have been observed and asigned to their symmetry species. Normal coordinate calculations for the purine crystal have been carried out, the atom‐atom intermolecular potentials being identical with those of 1,2,4‐triazole with the exception of the H…︁N interaction.
The temperature dependence of the raman effect in some wurtzite type crystals
Authors: Mead D. G. , Wilkinson G. R.
Published: May 2005

The temperature dependence of the one phonon Raman spectra of ZnS (hex.), ZnO and a‐Sic crystals is studied over the temperature range 15 to 1000 K. For ZnS frequency shifts are calculated by Griineisen theory and the k = 0 longitudinal and transverse optic phonon Griineisen parameters determined. The results are compa, indicating that the principal interactions are the cubic anharmonicities. Various calculated properties include the area, second moment, and simulated Raman bands to illustrate the anharmonic behaviour in the solids.
Spectroscopic study of [Me(NH3)6]X2 compounds. I‐Raman study of phase transitions in [Ni(NH3)6](ClO4)2 and [Ni(ND3)6](ClO4)2
Authors: Janik J. A. , Sarga T. , Janik J. M. , Pytasz G. , Sokotowski J.
Published: May 2005

Temperature dependence of Raman spectra was measured for polycrystalline [Ni(NH3)6](ClO4)2 and [Ni(ND3)6](ClO4)2. Spectroscopic evidence for the phase transition at 173 K was obtained. The phase transition is evident in the splitting of some bands corresponding to the internal ClOion vibrations and in charactreistic intensity dependences of the bands. Some bands also showed a characteristic broadening with increasing temperature, which we interpret as being connected with stochastic reorientations of NH3 groups and ClOions. Two bands which were not resolved from the others at the room temperature study1 were now evidenced at low temperatures.
Absolute Raman intensities of lattice modes‐investigation of intermolecular interactions in molecular crystals
Authors: D'Orazio M.
Published: May 2005

An investigation has been carried out on the correlation between intermolecular interactions and absolute Raman intensities of lattice modes. The analysis was performed by comparing absolute Raman intensities (measured using crystalline powders) with it could be shown that, in geoerd, the oriented‐gas model is inadequate for the description of the properties of molecular crystals. Large discrepancies in the model could be revealed for modes with both librational and translational character. The discrepancies depend strongly on the intermolecular interactions.
Temperature‐dependent Raman study of H‐bonds and possible phase‐transition in LiHCOO·H2O
Authors: Galzerani José Claudio , Srivastava R. , Katiyar R. S. , Porto S. P. S.
Published: May 2005

Polarized Raman spectra of single crystals of lithium formate monohydrate (LiHCOO·H2O) have been measured from 4.2 K to 320 K. In the high‐frequency region, the observed modes have been assigned and the water molecule vibrations identified. The crystallographic distances between the two oxygens involved in the two hydrogen bonds have been obtained from the frequencies of the stretching OH vibrations, and the corresponding O…︁O vibration frequencies have been predicted and identified in the low‐frequency region. Although the crystal is thought to be potentially ferroelectric, we have observed no evidence of any structural change or presence of a ‘soft’ phonon in the crystal in the temperature range studied. Our measurements in various configurations do not indicate the presence of any LOTO splittings or any hydrogen disorder in the crystal.
Spectroscopy study of [Me(NH3)6]X2 compounds. II—Low frequency infrared and Raman spectra at various temperatures
Authors: Zabińaska K. , Janik J. M. , Janik J. A.
Published: May 2005

Infrared and Raman spectra of [Ni(NH3)6]X2 compounds were measured at temperatures from 80 K to 300 K in the frequency range below c. 400 cm−1. Besides the simple bands previously reported additional ones were seen, especially at lower temperatures. The broad band which appeared between the lattice vibration and the δ(NNiN) deformation vibration was interpreted as partly representing the phonon density distribution from the whole Brillouin zone. Its appearance is induced by crystal imperfections connected with NH3 vacancies. Additíonal bands between δ(NNiN) deformation vibration and ν(NiN) stretching, and those above the ν(NiN) stretching were interpreted as combination bands in which the lattice vibration combines with the deformation in the former case and with the stretching mode in the latter. A satellite band close to the ν(NiN) stretching was interpreted as a combination of the stretching and libration mode of the whole [Ni(NH3)6]2+ ion. A model correlation function describing the librations was fitted to the experimental correlation function obtained from the i.r. spectra.
Rotation‐vibrational bands of gaseous allene‐d4
Authors: Andersen Helge Blom , Hegelund Flemming , Zangenberg Nina Rothe , Winther Flemming
Published: May 2005

Many of the fundamental bands of allene‐d4 have been analysed to yield a number of molecular constants, including the ground state constants Ao — Bo = 2.1832 ± 0.0004 cm−1 and Dko = (2.8 ± 0.2) × 10−5 cm−1. A reassignment of the perpendicular bands ν8 and ν11 is proposed.
Raman spectra of gases. XXI—bis(trifluoromethyl)peroxide
Authors: Durig J. R. , Bucy W. E. , Natter W. J.
Published: May 2005

The Raman spectra of gaseous and solid bis(trifluoromethyl)peroxide, (CF3)2O2, have been recorded from 20 to 1300 cm−1. The infrared spectrum of the solid has been investigated from 35 to 1300 cm−1. The far infrared spectrum of the gaseous phase was recorded from 20 to 250 cm−1. A reassignment of the low frequency fundamentals has been made. Both CF3 torsional modes have been observed in the solid and at least one in the gaseous phase. The barrier to internal rotation of the CF3 top has been calculated to have a value of 0.73 kcal mol−1 in the gaseous phase.
Étude par Spectroscopie Raman du Mouvement Orientationnel des Molécules de Chlore à l'État Liquide
Authors: Viossat Gérard , Cavagnat Raymond , Lascombe Jean
Published: May 2005

Les spectres Raman isotrope et anisotrope du chlore liquide ont été enregistrés à différentes températures. On montre que la convolution du profil isotrope par un profil lorentzien de largeur convenable permet de retrouver avec une très bonne approximation le profil anisotrope expérimental. Selon la théorie de Bratos et de ses coll., ce profil lorentzien est dǔ aux mouvements de réorientation des molécules de chlore dans le liquide; on en déduit le temps de corrélation et la constante de diffusion rotationnelle. Ces résultats sont comparés aux résultats antérieurs obtenus par résonance magnétique nucléaire et la dynamique rotationnelle des molécules de chlore est discutée.
Solid state studies. XII—the vibrational spectra of mixed crystals of (C6H5)3PMxM′1‐x(CO)5 where M, M′ = Cr, Mo, W
Authors: Kariuki David N. , Kettle Sidney F. A.
Published: May 2005

The high molecular symmetry (C4ν) and single crystal structure (P1,, Z = 2) of the title compounds permit an analysis of their vibrational spectra in the 2000 cm−1 region in terms of modal behaviour. This analysis is confirmed by spectral measurements on mixed crystals.
Temperature dependence of the Raman spectra of NaClO4 in relation to the 581 K phase transition
Authors: Toupry‐Krauzman N. , Poulet H.
Published: May 2005

The evolution of the internal and external modes in the Raman spectra of NaClO4 has been studied in the neighbourhood of the transition temperature, at 581 K. Large changes in the frequencies of the external modes with temperature have been observed. These changes can be explained in terms of a model based on the reorientation of the perchlorate ions.
Raman intensities of charge transfer complexes of benzene and halogen molecules
Authors: Abe H. , Ito M.
Published: May 2005

The Raman spectra of solid complexes formed between halogens as electron donors and benzene and methylated benzenes as electron acceptors were measured at 77 K. Great increase in intensity was observed for the Raman lines ν10(e1g), ν16(e2u) and ν17(e2u) of benzene on complex formation. The great intensity enhancement of these out‐of‐plane bending modes is reasonably explained as the result of mixing of the 1A2u (σπ*) state of benzene and the charge transfer state. The observed spectra are consistent with the crystal structure of factor group C3ν, having one halogen molecule and one benzene molecule in a unit cell, which was proposed by Person et al. from the infrared spectra. It was found that the Raman spectra of the complexes provide a good test for the Raman intensity mechanism proposed for benzene and also give important information about electronic excited states which are not identifiable by other means.
On the Raman spectrum of a single crystal of K2SeO4: Corrections to earlier spectra and assignments
Authors: Caville C. , Fawcett V. , Long D. A.
Published: May 2005

Improved room temperature Raman spectra obtained from oriented single crystals of K2SeO4 of high quality are reported and discussed. The new results show that some of the earlier spectra contained spurious bands and that some genuine bands were incorrectly assigned.
Etude par spectroscopie Raman de l'influence de la pression sur l'association de l'ion thiocyanate avec divers cations metalliques en solution aqueuse
Authors: Manouvrier E. , Devaure J.
Published: May 2005

Using Raman spectroscopy we have investigated the effect of pressure on the association between the thiocyanate ion and some metallic cations: Zn2 +, Mn2 +, Al3 +, In3 +, Th4 +, Hg2 +. The ν(CS) stretching vibration of the anion has been analysed because of its sensitivity to the complexation; new ν(CS) lines appear at frequencies well distinct from that of the free ν(CS). The quantity of free SCN− has been determined from the intensity of the free ν(CS) line and has been used to calculate the formation constants for the equilibria Mx + + nSCN−⇄M(SCN). Values have been obtained at normal pressure and at 3000 atmospheres. Finally, the mean value of the change of the partial molal volume Δ V for the complexation reaction between the two extreme pressures has been calculated. The dissociation of the complexes is generally favoured by an increase of the pressure, and the Δ V values are positive. We think that the largest measured values of Δ V are due to a change of the coordination number of the cation on complexation.
Polarization properties of coherent anti‐stokes Raman spectra (CARS) in isotropic liquids
Authors: Nestor J. R.
Published: May 2005

Linearly polarized excitation has been used to obtain CARS and CSRS spectra of some simple liquids and of cytochrome C in dilute solution. The data are described in terms of the depolarization ratio of conventional Raman spectroscopy. The symmetry properties of the third‐order susceptibility are shown to be maintained under conditions of electronic resonance.
Etude par spectroscopie Raman Du Chlorure Tetraammine Platine(II) et Dérivé Deutérie
Authors: Manfait M. , Alix A. J. P. , Bernard L. , Theophanides T.
Published: May 2005

The Raman spectra of the platinum complex [Pt(NH3)4]Cl2 and [Pt(ND3)4]Cl2 in the solid state and in aqueous solution and of [Pt(NH3)4]Cl2·H2O in the solid state have been obtained and discussed. All the ligand vibrations in the deformation and rocking regions have been studied and some show interesting changes on hydration. The polarization data and high quality spectra obtained in this study allow a more complete assignment of the vibrational modes of the complex.
Effects of hydrogen bonding on the Raman intensities of methanol, ethanol and water
Authors: Abe Naomichi , Ito Mitsuo
Published: May 2005

The absolute Raman intensities of methanol, ethanol and water in the gas and liquid phases have been measured using 514.5 and 337.1 nm excitation. Large intensity changes were observed for the Raman lines of the OH stretching vibrations in changing from gas to liquid. The observed intensity changes are interpreted as due to the additional contribution of the charge transfer electronic excited state arising from hydrogen bond formation. The Raman intensities of methanol, ethanol and water in alkali halide solutions were also studied. The observed effects of halide ions on the intensities and their excitation wavelength dependences were found to be well correlated with the known charge transfer states resulting from electron transfer from the halide ion to the surrounding solvent molecules.
Vibrational spectra of 1,5‐cyclooctadiene, di‐μ‐chlorobis[(1,5‐cyclooctadiene)rhodium(I)], di‐μ‐chlorobis[(1,5‐cyclooctadiene)copper(I)] and bis(1,5‐cyclooctadiene)copper(I) perchlorate
Authors: Barna Gabriel G. , Butler Ian S.
Published: May 2005

The vibrational spectra of 1,5‐cyclooctadiene (C8H12, COD) and the rhodium(I) and copper(I) complexes, [(COD)RhCl]2, [(COD)CuCl]2 and (COD)2CuClO4, have been investigated. In the liquid state, COD exists in a C2ν ‘tub’ configuration; the same structure is apparently also preserved in the solid at −196°C. The spectra of the dimeric complexes are in accord with the known D2h molecular symmetries and assignments for the ν(CC), ν(MCl) and ν(M—olefin) vibrations are proposed accordingly. The spectra of (COD)2CuClO4 indicate the presence of a non‐bonded olefinic group and a three‐coordinate structure is proposed for the (COD)2Cu+ ion.
Etude de la Dynamique Orientationnelle des Molécules d'Allène a l'Etat Liquide par Spectrométrie Raman
Authors: Bouachir M. , Lascombe J.
Published: May 2005

The orientational dynamics of liquid allene has been studied by means of the analysis of the isotropic and anisotropic profiles of the symmetrical A1 band at 1074 cm−1 and of the anisotropic profile of an E band at 3067 cm−1. These profiles have been studied in the temperature range from 300 to 150 K and for pressures ranging from 100 to 3000 atm.

Using the hypothesis of a diffusional rotation, the analysis of the former band allows the determination of the principal component D⊥ of the diffusion tensor, as well as of the associated activation energy and activation volume. The comparison of the observed orientational correlation times with the free‐rotation times and the shape of the correlation functions are not in too bad agreement with this hypothesis. The second band of E symmetry, which corresponds to a vibration whose Coriolis constant is very small, allows the evaluation of the diffusional Constant D∥ associated to the rotation of the molecule about its axis. A strong anisotropy in the rotations of the allene molecule in the liquid state is evidenced: D∥/D⊥ ≃ 7. Furthermore, the rotational motion about the axis seems to digress from a diffusional motion more than the reorientation of the axis itself. Finally, the paper discusses those conditions in which the evaluation of the rotational diffusion constant from the Raman profile of a depolarized band is valid.
Systematic interpretation of Raman spectra of organic compounds. IV—nitrogen compounds
Authors: Visser T. , Van Der Maas J. H.
Published: May 2005

The Raman spectra of 79 nitrogen containing organic compounds have been recorded. The frequencies of amines, pyridines, cyanides, amides and nitro‐compounds are reported and correlations with the structure have been established by means of computer searching. The collected data have been incorporated into an interpretation system for C, H and O compounds, and difficulties in the interpretation of the data are reviewed. A further extension of the system is discussed.
Characterization of a few Raman lines of tryptophan
Authors: Hirakawa Akiko Y. , Nishimura Yoshifumi , Matsumoto Tadashi , Nakanishi Mamoru , Tsuboi Masamichi
Published: May 2005

The Raman spectrum of tryptophan has been observed in its neutral aqueous solution with 514.5, 488.0, 457.9, 363.8, and 257.3 nm excitation. The effects of N‐deuteration and 15N‐substitution of the indole ring on the Raman spectrum have been examined. A preliminary normal coordinate treatment of the indole ring has also been made. On the basis of these data, the vibrational mode and a possible origin of the Raman scattering intensity has been discussed for each of the 1623, 1555, 1436, 1344, 1016, 882, and 762 cm−1 Raman lines of tryptophan. The resonance enhanced line at 1623 cm−1 has been assigned to a vibration of the indole ring which is related to the b3g ring stretching vibration of naphthalene at 1636 cm−1. Its intensity is considered to come almost solely from the B̃ ← X̃ (La) electronic transition at 273 nm. It is therefore probable that the geometrical structure of the molecule is distorted along this vibrational coordinate on going from the ground (X̃) to the B̃ electronic excited state.
Raman spectrum of anatase, TiO2
Authors: Ohsaka Toshiaki , Izumi Fujio , Fujiki Yoshinori
Published: May 2005

Raman spectra of anatase have been observed in natural and synthetic crystals. Both crystals show the same spectral features. The Raman band occurring at 516 cm−1 at room temperature is split into two peaks centred at 519 cm−1 and 513 cm−1 at low temperature (73 K). The six Raman active fundamentals predicted by group theory are all observed and assigned. The spectra are analyzed by a simple model considering only short‐range forces and the calculated vibrational frequencies are in good agreement with the observed Raman frequencies.