Isotope substitution in the expanded local mode approach: XH2 → XHD molecules

O. N. Ulenikov, I. M. Olekhnovitch

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

In a previous paper (O.N. Ulenikov, R.N. Tolchenov, and Qing-shi Zhu, 1996, Spectrochimica Acta Part A, 52, 1829) we have described the 'expanded local mode' approach which is a considerable extension of the well-known local mode model (M.S. Child and L. Halonen, 1984, Adv. Chem. Phys 57, 1). We report here further extension of the 'expanded local mode' approach and consider, for the case of light atoms, the effects of isotopic substitution on the properties of the Hamiltonian and the spectroscopic parameters. For the XY2 molecules of (C2v) symmetry, it is shown that by analyzing the properties of the transformation coefficients, one can obtain relations between the parameters for different isotopomers.

Original languageEnglish
Pages (from-to)1337-1345
Number of pages9
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume54
Issue number10
DOIs
Publication statusPublished - 1 Jan 1998

Keywords

  • Expanded local mode approach
  • Isotope substitution

ASJC Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

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