THE EQUILIBRIUM STRUCTURE OF MONOFLUOROACETYLENE

Authors
Citation
Af. Borro et Im. Mills, THE EQUILIBRIUM STRUCTURE OF MONOFLUOROACETYLENE, Journal of molecular structure, 320, 1994, pp. 237-242
Citations number
9
Categorie Soggetti
Chemistry Physical
ISSN journal
00222860
Volume
320
Year of publication
1994
Pages
237 - 242
Database
ISI
SICI code
0022-2860(1994)320:<237:TESOM>2.0.ZU;2-#
Abstract
The equilibrium rotational constants B(e) of HCCF and DCCF have been d etermined from the ground state rotational constants B0, by determinin g the alpha(r) constants for all five fundamentals from the high-resol ution vibration-rotation spectrum making appropriate corrections for t he effects of Fermi resonance. By combination with results from the C- 13 isotopomers and the recent ab initio calculations by Botschwina et al. (Chem. Phys. Lett., 209 (1993) 117), the equilibrium structure is deduced to be: r(e)(CH) = 1.0555 (15) angstrom, r(e)(CC) = 1.1955 (8) angstrom and r(e)(CF) = 1.2781 (8) angstrom