Normal coordinates for the planar vibrations of benzene
Duinker, J. C. and Mills, I. (1968) Normal coordinates for the planar vibrations of benzene. Spectrochimica Acta Part A: Molecular Spectroscopy, 24 (4). pp. 417-435. ISSN 0584-8539
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To link to this item DOI: 10.1016/0584-8539(68)80056-X
Force constants and normal coordinates have been recalculated for all of the in-plane vibrations of benzene, making use of the recently observed data on one of the Coriolis constants in the E2g species from the work of Callomon et al. The extent to which the force field is uniquely determined by the data is reviewed for each symmetry species in turn, and the results of a force constant refinement calculation are reported in which a modified valency force field was used based on the hybrid orbital model. The results show considerable differences from Whiffen's normal coordinates for benzene, but somewhat smaller differences from Scherer's recent calculations.