Physics
Scientific paper
Jun 2010
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..conferh15s&link_type=abstract
"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec
Physics
Microwave (Rotational)
Scientific paper
We present the ground state spectrum for m-methylbenzaldehyde taken with a chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer. The presence of a methyl rotor on the molecule introduces a threefold internal rotation barrier. Tunneling through this barrier leads to splitting of the torsional energy level degeneracy into A and E states. Theory predicts a low torsional barrier for both the cis and trans conformers, which leads to large splitting in the frequency spectrum. The A states are simulated using the rigid rotor approximation and subsequent distortion terms. In order to predict the E states, a V3 parameter must be determined that correlates to the torsional barrier. All four possible species have been fit and parameters will be presented, including rotational constants, distortion terms and V3 values.
Dian Brian C.
Hotopp Kelly M.
Shirar Amanda J.
Wilcox David S.
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