A self-consistent calculation of benzene vibrations
- 1 January 1968
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 15 (2) , 205-213
- https://doi.org/10.1080/00268976800100981
Abstract
The force constants of carbon skeleton of benzene are calculated by a self-consistent method for A 1g , B 2u and E 2g modes. With Pariser's set of values for β and γij, and the Coulson-Golebiewski bond order-bond length relation, the experimental values of the A 1g and B 2u force constants allow the determination of β′ and γ12′. The calculated value of the E 2g force constant agrees well with the experimental one with this set of parameters.Keywords
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