Vibrational analysis of the benzophenone molecule and influence of its conformation on vibrational transitions |
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| Institution: | 1. Skobeltsyn Institute of Nuclear Physics, Moscow State University, Leninskie Gory 1(2), 119991, Moscow, Russia;2. Université de Bordeaux, CNRS, CEA, CELIA, Talence, France;3. Lebedev Physical Institute, Leninskii prosp. 53, 119333, Moscow, Russia;4. Fomos-Materials, Buzheninova 16, 107023, Moscow, Russia;5. National University of Science and Technology MISiS, Leninsky Prospekt 4, 119049, Moscow, Russia;6. Nikolaev Institute of Inorganic Chemistry, SB RAS, 630090, Novosibirsk, Russia;1. Department of Chemistry, Guru Ghasidas Vishwavidyalaya, Bilaspur (C.G), India;2. X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM Penang, Malaysia;1. Department of Chemistry and Technology of Crystals, D. Mendeleev University of Chemical Technology of Russia, Miusskaya sq. 9, 125047, Moscow, Russia;2. A.M. Prokhorov General Physics Institute, Russian Academy of Sciences, Vavilov Str., 38, 119991, Moscow, Russia;3. P.N. Lebedev Physical Institute, Russian Academy of Science, Leninsky pr., 53, 119991, Moscow, Russia |
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| Abstract: | IR and Raman spectra of benzophenone and several of its isotopomers (d5?, dl0?, 13C- and 13Cd5-benzophenone) are the experimental basis for the normal coordinate analysis. The possibility of determining the conformation of the benzophenone molecule in solution from its vibrational spectrum is considered carefully. The dihedral angle between the central part of the molecule and the phenyl ring has been determined by fitting the calculated to the observed spectra. The final force field for the molecule was obtained for the dihedral angle of 35°. |
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