Vibrational analysis of chlorinated p-benzoquinones
作者： Alberto Girlando , Cesare Pecile
DOI: 10.1016/0022-2852(79)90179-6
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摘要: Abstract The force field for the in-plane vibrations of p -benzoquinone, its chloro-derivatives and corresponding fully deuterated analogs is determined using overlay technique. A 32-parameter modified internal valence (MIVFF) derived from 290 observed frequencies 14 molecules studied. mean deviation calculated wavenumbers 5.9 cm −1 or 0.93%. description vibrational modes chlorinated -benzoquinones in terms potential energy distribution cartesian eigenvectors made available. given extends to -quinoid structure logical frame built up by fields available similar structures as benzenes.
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