Infrared spectra of CO in absorption and evaluation of radial functions for potential energy and electric dipolar moment

J. F. Ogilvie*, S. L. Cheah, Yuan-Pern Lee, S. P.A. Sauer

*Corresponding author for this work

Research output: Contribution to journalArticle

37 Scopus citations

Abstract

From quantum-chemical calculations of rotational g factor and new experimental measurements of strengths of lines in infrared spectra of vibration-rotational bands ν′-0 in absorption, with 1≤ν′≤4, of 12C16O, and from analysis of 16,947 frequencies and wave numbers assigned to pure rotational and vibration-rotational transitions within electronic ground state X 1+, including new measurements of band 4-0 of 12C16O, we evaluate radial functions for potential energy and electric dipolar moment, the latter both in polynomial form and as a rational function that has qualitatively correct behaviour under limiting conditions.

Original languageEnglish
Pages (from-to)85-97
Number of pages13
JournalTheoretical Chemistry Accounts
Volume108
Issue number2
DOIs
StatePublished - 1 Aug 2002

Keywords

  • Analysis of frequencies
  • Analysis of intensities
  • Rotational g factor
  • Vibration-rotational spectra

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