Vibrational spectra and conformations of selenanisole

Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 52, No. 1, pp. 56–60, January, 1990.     

Vibrational spectra and conformations of ethyl phenyl sulfide

Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 55, No. 4, pp. 541–546, October, 1991.     

Vibrational spectra of phenylisocyanide and perdeuterophenylisocyanide

The infrared and laser Raman spectra of liquid C₆H₅NC and C₆D₅NC have been measured and analyzed. Frequencies have been assigned for the 33 normal modes of vibration.     

Vibrational spectra of polyacetylenic compounds

Force fields are determined for diacetylene and dimethyldiacetylene. It is concluded that -electron density is displaced from the triple bonds to the single one in the butadiyne system. Characteristic features of the force fields of conjugated organic molecules are presented. The vibrational spectra of polyacetylenes are examined. It is shown that increase in chain length does not lead to equalization of the orders of the triple and single bonds. It is concluded that the intramolecular effects of substituents die out rapidly along the chain.Zhurnal Prikladnoi Spektroskopii, Vol. 5, No. 4, pp. 498–505, 1966     

Vibrational spectra of LiRbSO4

The IR and Raman spectra of LiRbSO₄ have been recorded and analysed on the basis of vibrations of the SO^2-₄ ion. The splitting of the non-degenerate symmetric stretching mode of the SO^2-₄ ion into three components in Raman suggests the possibility of resonance interaction between SO^2-₄ ions in the unit cell. The linear distortion of the SO₄ tetrahedra seems to be greater than the angular distortion.     

Vibrational spectra of benzophenone conformers

We have used direct quantum DFT methods to calculate the parameters of the adiabatic potential of four benzophenone conformers. According to the data obtained, the existence of only one conformer is possible (C₁ symmetry) for the free benzophenone molecule, for which torsional vibrations of the benzene moieties are reproduced and for which we calculated the vibrational spectrum in the anharmonic approximation of the theory of molecular vibrations. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 5, pp. 561–564, September–October, 2007.     

Vibrational spectra of 1,3,5-trichlorotrifluorobenzene

Infrared (4000-80 cm^?1) and Raman spectra of a highly purified sample of 1,3,5-trichlorotrifluorobenzene in the solid, solution, and vapor states have been measured. Assignments of all the fundamental frequencies are made, completed by the use of calorimetric data.     

Vibrational spectra of 2-furaldehyde

The infrared spectra of 2-furaldehyde and its deutero analog were measured in the gaseous and liquid states and in solutions. The band contours of the spectra of the gaseous phase were discussed. Normal coordinate calculations were carried out and related to the band assignment.     

Vibrational spectra of monosubstituted acetylenes

The frequencies and envelopes (modes) of the normal vibrations of the molecules CH₃CCH, FCCH, BrCCH, and ICCH have been calculated and their force constants determined.