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Microwave Spectra of o-Fluorotoluene and Its 13C Isotopic Species: Methyl Internal Rotation and Molecular Structure

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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 angle∢(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.

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  1. Institut für Physikalische Chemie, Christian-Albrechts-Universität, Olshausenstr.40, D-24098, Kiel, Germany

    S. Jacobsen

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  1. S. Jacobsen
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  2. U. Andresen
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  3. H. Mäder
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Jacobsen, S., Andresen, U. & Mäder, H. Microwave Spectra of o-Fluorotoluene and Its 13C Isotopic Species: Methyl Internal Rotation and Molecular Structure. Structural Chemistry 14, 217–225 (2003). https://doi.org/10.1023/A:1022150801925

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