论文信息 - Application of the Keating bendings to the in-plane vibrations of naphthalene and benzene

Application of the Keating bendings to the in-plane vibrations of naphthalene and benzene

Abstract An approximate force field was deduced for the in-plane vibrations of naphthalene in terms of five parameters corresponding to the coordinates: C-C and C-H stretchings, CCC (two types) and CCH Keating's bendings. Calculated frequencies were compared to observed data. On the other hand, these results were compared to those where Decius' bendings were applied. The set with Keating's bendings proved to be the superior one. The corresponding force fields were applied to benzene, and the same general conclusion was reached.

S. J. Cyvin | J. Brunvoll | B. Cyvin

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