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

O. N. Ulenikov, I. M. Olekhnovitch

Результат исследований: Материалы для журналаСтатья

4 Цитирования (Scopus)

Аннотация

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.

Язык оригиналаАнглийский
Страницы (с-по)1337-1345
Число страниц9
ЖурналSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Том54
Номер выпуска10
DOI
СостояниеОпубликовано - 1 янв 1998

ASJC Scopus subject areas

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

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