Infrared spectra of CO in absorption and evaluation of radial functions for potential energy and electric dipolar moment |
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| Authors: | J. F. Ogilvie S.-L. Cheah Y.-P. Lee S. P. A. Sauer |
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| Affiliation: | (1) Centre for Experimental and Constructive Mathematics, Department of Mathematics, Simon Fraser University, 8888 University Drive, Burnaby BC V5A 1S6, Canada, CA;(2) Department of Chemistry, National Tsing Hua University, 101, Section 2, Kuang-Fu Road, Hsinchu 30013, Taiwan, TW;(3) Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen O, Denmark, DK |
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| Abstract: | From quantum-chemical calculations of rotational g factor and new experimental measurements of strengths of lines in infrared spectra of vibration–rotational bands v′–0 in absorption, with 1≤v′≤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 1Σ+, 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. Received: 8 November 2001 / Accepted: 5 February 2002 / Published online: 14 August 2002 |
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| Keywords: | : Vibration– rotational spectra – Rotational g factor – Analysis of frequencies – Analysis of intensities |
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