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The equilibrium structure of monofluoroacetylene

Borro, A. F. and Mills, I. (1994) The equilibrium structure of monofluoroacetylene. Journal of Molecular Structure, 320 (1-2). pp. 237-242. ISSN 0022-2860

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To link to this article DOI: 10.1016/0022-2860(93)08017-X

Abstract/Summary

The equilibrium rotational constants Be of HCCF and DCCF have been determined from the ground state rotational constants B0, by determining the αr constants for all five fundamentals from the high-resolution vibrational—rotation spectrum making appropriate corrections for the effects of Fermi resonance. By combination with results from the 13C isotopomers and the recent ab initio calculations by Botschwina (Chem. Phys. Lett., 209 (1993) 117), the equilibrium structure is deduced to be: re(CH) = 1.0555(15) Å, re(CC) = 1.1955(8) Å and re(CF) = 1.2781(8) Å.

Item Type:Article
Refereed:Yes
Divisions:Faculty of Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:7602
Publisher:Elsevier

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