The Structure of the TRANS-1,2-DIFLUOROETHYLENE-HF Complex

Details The Structure of the TRANS-1,2-DIFLUOROETHYLENE-HF Complex The Structure of the TRANS-1,2-DIFLUOROETHYLENE-HF Complex

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..conferc03l&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Computer Science

Microwave

Scientific paper

To understand the effects of fluorine substitution in ethylene on intermolecular interactions, we have expanded our work on the Fourier transform microwave spectroscopy of trans-1,2-difluoroethylene-HF reported last year to include six isotopomers: the most abundant, its DF counterpart, and four singly substituted ^{13}C species in natural abundance. The spectra are analyzed with the inclusion of the hydrogen-fluorine spin-spin coupling interaction in the HF subunit, or for those complexes containing DF, the deuterium nuclear quadrupole coupling interaction. Analysis of the rotational and hyperfine constants gives a planar complex, with a hydrogen bond formed between HF and one of the F atoms in trans-1,2-difluoroethylene. As with similar complexes, the hydrogen bond bends to allow the F atom in HF to interact with an H atom in the ethylene subunit. Although there are two possible sites for this secondary interaction, namely the H atoms vicinal and geminal to the hydrogen bonded F atom, only the interaction involving the former H atom is observed. The structure of this complex will be compared with those of similar complexes with different patterns of F atom substitution in the ethylene subunit.
B. K. Amberger, H. O. Leung, and M. D. Marshall, The 63rd OSU International Symposium on Molecular Spectroscopy, Talk WF04 (2008).

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