INFRARED SPECTRA OF $^{12}C^{16}O$ IN ABSORPTION AND EVALUATION OF RADIAL FUNCTIONS FOR POTENTIAL ENERGY AND ELECTRIC DIPOLAR MOMENT
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Date
2002
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
From quantum-chemical calculations of rotational g factor and new experimental measurements of strengths of lines in infrared spectra of vibration-rotational bands in $absorption^{a}$, with $\nu^{\prime\prime} = 0$ and $1 \leq \nu^{\prime} \leq 4$, of $^{12}C^{16}O$, and from analysis of 16947 frequencies and wave numbers assigned to pure rotational and vibration-rotational transitions within electronic ground state $X {^{1}\sum^{+}}$, including new measurements of band $4 - 0$ of $^{12}C^{16}O$, we evaluate radial $functions^{b}$ 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.
Description
$^{a}$J. F. Ogilvie, S-L. Cheah, Y.-P. Lee and S. P. A. Sauer, Theoretical Chemistry Accounts, in press (2002) $^{b}$J. F. Ogilvie, The Vibrational and Rotational Spectrometry of Diatomic Molecules, Academic Press, London U.K. (1998)
Author Institution: Centre for Experimental and Constructive Mathematics Department of Mathematics Simon Fraser University; Department of Chemistry, National Tsing Hua University; Department of Chemistry, University of Copenhagen
Author Institution: Centre for Experimental and Constructive Mathematics Department of Mathematics Simon Fraser University; Department of Chemistry, National Tsing Hua University; Department of Chemistry, University of Copenhagen