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Russian Chemical Bulletin

, Volume 44, Issue 3, pp 443–447 | Cite as

Spectroscopic and conformational study of phenyl benzoate

  • I. K. Bogatyreva
  • V. G. Avakyan
  • V. L. Khodzhaeva
Physical Chemistry

Abstract

IR spectra of phenyl benzoate (PB) have been studied at various temperatures. On the basis of the calculation of the frequencies and forms of the normal phenyl benzoate molecule, the complete assignment of vibrational spectra was achieved. A conformational analysis of PB was carried out using molecular mechanics calculations. It was shown that the relative orientation of the benzene rings varies with temperature and phase state.

Key words

phenyl benzoate conformation IR spectrum normal coordinate calculation 

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Copyright information

© Plenum Publishing Corporation 1995

Authors and Affiliations

  • I. K. Bogatyreva
    • 1
  • V. G. Avakyan
    • 1
  • V. L. Khodzhaeva
    • 1
  1. 1.Institute of Petrochemical SynthesisRussian Acadamy of SciencesMoscowRussian Federation

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