ROTATIONAL CONSTANTS FOR M-METHYLBENZALDEHYDE: A STUDY IN LOW BARRIER TORSIONAL SPLITTING
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Date
2010
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Publisher
Ohio State University
Abstract
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 \textit{cis} and \textit{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 V$_{3}$ 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 V$_{3}$ values.
Description
Author Institution: Department of Chemistry, Purdue University, West Lafayette, IN, 47907