Equilibrium configuration and barriers of four fluorine substituted nitrobenzenes,obtained by microwave spectroscopy |
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Authors: | T Correll NW Larsen T Pedersen |
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Institution: | Department of Chemical Physics, University of Copenhagen, The H.C. Ørsted Institute, 5, Universitetsparken, DK-2100 Copenhagen Ø Denmark |
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Abstract: | MW Spectra of 3- and 4-fluoronitrobenzene in several torsional states and of 2- and 2,4,6-trifluoronitrobenzene in the ground state have been obtained. The inertial defects have been used to show that the 3- and 4-substituted molecules are planar and to find their twofold barriers (1428 cm?1 and 1213 cm?1 respectively). The 2- and 2,4,6-substituted molecules have very large negative inertial defects indicating non-planarity. The out-of-plane angles have been calculated (32° and 57° respectively). |
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