Other
Scientific paper
Jun 2010
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..confeth04p&link_type=abstract
"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec
Other
Microwave (Rotational)
Scientific paper
The HCF_3-HCCH complex was recently found to have a weak C-H\cdotsπ interaction between the fluoroform and acetylene, as well as having a secondary interaction between the fluorine atoms and one of the acetylene hydrogen atoms; however, extensive splittings due to large amplitude motions within the complex have complicated our efforts at making a full assignment of the HCF_3-HCCH spectrum. In an attempt to remove some of the ambiguity in the HCF_3-HCCH study, we have substituted a chlorine atom for one fluorine atom and undertaken an investigation of the HCClF_2-HCCH complex. This eliminates the possibility of internal rotation of the methane subunit, while still maintaining a C-H\cdotsπ interaction.
Using the chirped-pulse Fourier-transform microwave (CP-FTMW) spectrometer at the University of Virginia and the Balle-Flygare FTMW spectrometer at Eastern Illinois University, the spectra of four isotopologues of HCClF_2-HCCH have been assigned, with no indication of internal motions within the complex. The structure has been determined from the experimental moments of inertia, confirming that this dimer has the expected weak C-H\cdotsπ interaction. In addition, the off-diagonal χab quadrupole coupling constant has been used to determine the angle between the C-Cl bond and the a-axis of the complex. This, and Kraitchman coordinates for the chlorine atom, help confirm the structural details from the inertial fit. The structural results will be compared with other complexes showing C-H\cdotsπ and C-H\cdotsO interactions.
S. A. Peebles, M. M. Serafin, R. A. Peebles, 61st International Symposium on Molecular Spectroscopy, Talk MH13, June 19, 2006.
Elliott Ashley A.
Muckle Matt T.
Neill Justin L.
Pate Brooks H.
Peebles Rebecca A.
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