Rotational constant dependence of quartic centrifugal distortion constants

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Abstract

Using as αα and as αβ 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

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Molecules
field theory (physics)
sum rules
sensitivity
products
molecules

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

Rotational constant dependence of quartic centrifugal distortion constants. / Nemes, L.

In: Journal of Molecular Structure, Vol. 46, No. C, 1978, p. 67-72.

Research output: Contribution to journalArticle

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