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Microwave Spectra of o-Fluorotoluene and Its 13C Isotopic Species: Methyl Internal Rotation and Molecular Structure
Authors:Jacobsen  S  Andresen  U  Mäder  H
Institution:(1) Institut für Physikalische Chemie, Christian-Albrechts-Universität, Olshausenstr.40, D-24098 Kiel, Germany
Abstract:The rotational spectra of o-fluorotoluene and its seven 13C isotopic species were recorded in the frequency range from 4 to 20 GHz with employment of pulsed molecular beam Fourier-transform microwave (MB-FTMW) spectrometers. The analysis of the spectra in the two lowest states of methyl internal rotation (torsional ground state, A and E species) was based on a asymmetric frame-rigid symmetric top Hamiltonian with inclusion of centrifugal distortion terms, yielding structural rotational constants, as well as the threefold barrier V 3 to internal rotation and the angleangsph(a,i) between the principal moment of inertia a axis and the internal rotor axis i. The rotational constants of all eight isotopomeres were used to derive the seven 13C r s coordinates of the molecule.
Keywords:o-fluorotoluene  rotational spectrum  molecular beam Fourier-transform microwave spectroscopy  methyl internal rotation  r s structure
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