Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.352, 629-638, 2000
A non-traceless molecular pseudotensor for a description of the HTP
For a description of the HTP with quantities determined by structural elements of a molecule, the chirality interaction tensor (W) double under bar has been introduced. The diagonal elements of (W) double under bar with respect to the principal axes of the order tensor of some unbridged 1,1'-binaphthyls have been determined from the temperature dependence of the HTP and that of the order tensor. The distinct smaller W-ii* (i=1,2,3) of unbridged 1,1'-binaphthyls in comparison to those of bridged 1,1'-binaphthyls can be explained as a result of an ordering phenomenon originated by the large amplitude motion about the dihedral angle phi of the naphthyl-naphthyl bond. There is no necessity to assume a chiral zero for the diagonal elements of (W) double under bar for conformers with a dihedral angle between 0 degrees less than or equal to phi less than or equal to 180 degrees.
Keywords:helical twisting power;exciton chirality;1,1 '-binaphthyls;order tensor;chirality interaction tensor