Permanent Dipole Moments of Methane-Type Molecules: Calculation of the ΔJ = 0 Matrix Elements in the l = 1 Vibrational State

Chikako Ishibashi, Hiroyuki Sasada

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We examined permanent dipole moments (PDMs) of methane-type molecules induced by molecular internal motions which are expanded in terms of the vibrational coordinate operator q, total angular momentum operator J, and vibrational angular momentum operator l. The qq-, JJ-, Jl-, and ll-type quadratic terms of these operators contribute to the production of PDMs. The ΔJ = 0 matrix elements of the four PDMs are calculated for the first excited state of the triply degenerate vibrational mode; a portion are numerically given in a table for the J ≤ 6 levels. We have also compared them with the PDM represented by the rotational angular momentum operator R = J - l and discussed an application of the present calculations to the υ3 = 2 state of methane.

Original languageEnglish
Pages (from-to)285-294
Number of pages10
JournalJournal of Molecular Spectroscopy
Volume183
Issue number2
Publication statusPublished - 1997 Jun

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Methane
Dipole moment
vibrational states
Angular momentum
dipole moments
methane
operators
Molecules
matrices
angular momentum
molecules
Excited states
vibration mode
excitation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Permanent Dipole Moments of Methane-Type Molecules : Calculation of the ΔJ = 0 Matrix Elements in the l = 1 Vibrational State. / Ishibashi, Chikako; Sasada, Hiroyuki.

In: Journal of Molecular Spectroscopy, Vol. 183, No. 2, 06.1997, p. 285-294.

Research output: Contribution to journalArticle

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