Rotational constant dependence of quartic centrifugal distortion constants

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Using asαα and asαβ sum rules the quartic dependence of ταβγδ constants on the rotational constants can generally be reduced to cubic dependence. In the present work the cubic dependence is further reduced to quadratic dependence for non-linear XYX molecules via Redlich-Teller product rules applied to isotopic ratios. Whereas the quartic to cubic reduction is exact, the cubic to quadratic reduction is approximate, but provides a particular proof for the general quadratic dependence found by Demaison. It is shown in the present work that although the dependence of the quartic constants on rotational constants is overwhelming, the sensitivity to the force field is still significant.

Original languageEnglish
Pages (from-to)67-72
Number of pages6
JournalJournal of Molecular Structure
Volume46
Issue numberC
DOIs
Publication statusPublished - 1978

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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