Force Fields for C&24XXXw;N-Substituted Benzenes. II—Planar and Non‐Planar Modes of the Three Isomeric Dicyanobenzenes

Planar and non-planar force field calculations for o–, m– and p–dicyanobenzenes were carried out using published data on the parent molecule and one isotope in each case. General valence force fields were determined using 61 (43 planar and 18 non-planar), 61 (43 planar and 18 non-planar) and 58 (41 planar and 17 non-planar) parameters for the o–, m– and p–isomers respectively. It was found that the earlier proposed assignments for some of the wavenumbers need to be revised. © 1997 by John Wiley & Sons, Ltd.