Microwave Spectra of o-Fluorotoluene and Its 13C Isotopic Species: Methyl Internal Rotation and Molecular Structure |
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Authors: | Jacobsen S Andresen U Mäder H |
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Institution: | (1) Institut für Physikalische Chemie, Christian-Albrechts-Universität, Olshausenstr.40, D-24098 Kiel, Germany |
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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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Keywords: | o-fluorotoluene rotational spectrum molecular beam Fourier-transform microwave spectroscopy methyl internal rotation r
s
structure |
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