Theoretical and Experimental Chemistry

, Volume 22, Issue 6, pp 693–697 | Cite as

Force fields and vibrational spectra of M2O and MOH (M = Li, Na) molecules according to data from nonempirical MO-LCAO-SCF calculations

  • T. P. Pogrebnaya
  • V. G. Solomonik
  • V. N. Vinogradova
  • M. I. Godneva
Brief Communications
  • 17 Downloads

Abstract

The geometric structure, force fields, and vibrational spectra of M2O and MOH (M=Li, Na) molecules have been investigated. The size of the d basis on the oxygen atom has a significant influence only on the frequency of the deformation vibration Ω3. Experimentally unknown constants of the molecules considered have been evaluated.

Keywords

Oxygen Oxygen Atom Significant Influence Force Field Geometric Structure 

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Copyright information

© Plenum Publishing Corporation 1987

Authors and Affiliations

  • T. P. Pogrebnaya
    • 1
    • 2
  • V. G. Solomonik
    • 1
    • 2
  • V. N. Vinogradova
    • 1
    • 2
  • M. I. Godneva
    • 1
    • 2
  1. 1.Ivanovo Chemical-Engineering InstituteUSSR
  2. 2.Ivanovo Textile InstituteUSSR

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