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
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.