THE CARBON-13 SHIFT IN THE BENZENE $a_{2}$ MODE AND THE INFRARED EXCITION SPECTRUM OF THE NATURAL ABUNDANCE BENZENE CRYSTAL
Publisher:
Ohio State UniversityAbstract:
The benzene $C^{13}$ shift for the gas phase $a_{20}$ vibrational mode was calculated and found to be $0.37 cm^{-1}$. This value was combined with data from the exciton density-of-states and exciton interaction parameters for the isotopically pure $C_{6}H_{6}$ $crystal^{1}$ to calculate the density-of-states and spectral absorption functions for the natural abundance crystal. These calculations will be compared with recent experimental $data.^{2,3}$
Description:
$^{1}$ C. Laufer and R. Kopelman, J. Chem. Phys. 53, 3674 (1970). $^{2}$ R. Bernstein, J. Chem. Phys. 50, 4842 (1969). $^{3}$ M. P. Marzocchi, H. Bonadeo, and G. Taddci, J. Chem. Phys. 53, 867 (1970).""
Author Institution: Department of Chemistry, University of Michigan
Author Institution: Department of Chemistry, University of Michigan
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