Internal Rotation in CF3ICdotsNH3 and CF3I\cdotsN(CH3)_3 Probed by Cp-Ftmw Spectroscopy

Details Internal Rotation in CF3ICdotsNH3 and CF3I\cdotsN(CH3)_3 Probed by Cp-Ftmw Spectroscopy Internal Rotation in CF3ICdotsNH3 and CF3I\cdotsN(CH3)_3 Probed by Cp-Ftmw Spectroscopy

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confewh05w&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Computer Science

Microwave

Scientific paper

The pure rotational spectra of CF3ICdotsNH3 and CF3I\cdotsN(CH3)_3 have been measured by chirped-pulse, Fourier transform microwave (CP-FTMW) spectroscopy between 7 and 18.5 GHz. Both molecules are generated by supersonic expansion of a gas sample containing a small percentage of each precursor in a balance of argon. The spectra of both complexes are consistent with {C}3v prolate symmetric top structures. The observed spectrum of CF3ICdotsNH3 displays evidence for internal rotation of NH3 about the principal axis. More than one hundred transitions of CF3ICdotsNH3 have been assigned to the internal rotor {A} state allowing rotational, centrifugal distortion constants and a nuclear quadrupole coupling constant for the iodine atom to be determined for this state. Measurements performed using a Balle-Flygare FTMW spectrometer further allow determination of a nuclear quadrupole coupling constant for the 14N nucleus. Many transitions in the spectrum of the CF3ICdots15NH3 isotopologue have also been measured and the length of the halogen bond between the iodine and nitrogen atoms has been determined. Measurements of hyperfine components in nine different J''←J' transitions of CF3I\cdotsN(CH3)_3 have allowed assignment of the spectrum of this complex to determine rotational, centrifugal distortion and nuclear quadrupole coupling constants.

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