title: Characterization of two isomers of the vinyl fluoride···carbon dioxide dimer by rotational spectroscopy.
abstract: Rotational spectra of two different structural forms of the 1:1 weak complex between vinyl fluoride (C2H3F) and carbon dioxide were measured using 480 MHz bandwidth chirped-pulse and resonant cavity Fourier-transform microwave spectroscopy in the 5-17 GHz region. Both structures have the CO2 molecule situated in the plane of the vinyl fluoride, such that the CO2 is interacting either with a CHF side or with a HC═CF edge of the vinyl fluoride subunit. Both observed structures are close to those predicted by ab initio geometry optimizations (corrected for basis set superposition error) at the MP2/6-311++G(2d,2p) level. Dipole moment measurements and structural fits, including determinations of principal axis coordinates for all three carbon atoms, confirm the geometries of the assigned species.
authors.affiliation: Department of Chemistry, Eastern Illinois University , 600 Lincoln Avenue, Charleston, Illinois 61920, United States.
authors.forename: Cori L
authors.initials: CL
authors.lastname: Christenholz
authors.forename: Rachel E
authors.initials: RE
authors.lastname: Dorris
authors.forename: Rebecca A
authors.initials: RA
authors.lastname: Peebles
authors.forename: Sean A
authors.initials: SA
authors.lastname: Peebles