STRUCTURAL AND THEORETICAL-ANALYSIS OF SOME MESOGENIC AZINES CONTAINING STRONG ELECTRON DONOR-ACCEPTOR GROUPS

A structural and theoretical analysis of some mesogenic bis(phenylene) azines containing a methyl group on the azine system and strong electr on donor-acceptor groups on the phenylene rings is reported. Starting from the X-ray molecular structures and with the support of semiempiri cal quantum mechanical calculations, the structural and conformational properties of the azines are analysed and compared with recent litera ture data on similar acetophenone azines. Some geometrical and electro nic data of the molecules are also calculated and discussed in the pap er, which may be useful for a better understanding of the mesophasic b ehaviour of the compounds.