Av. Luzanov et al., DISYMMETRY INDEXES BASED ON OPTICAL ROTATIONAL POLARIZABILITY OF CHIRAL MOLECULES, Journal of structural chemistry, 39(2), 1998, pp. 261-267
New molecular disymmetry indices are suggested based on an analysis of
the moments of rotational polarizability defining optical activity. I
t is shown that the fourth moment of rotational polarizability coincid
es with the electron-kinematic index of chirality, introduced previous
ly by one of the authors. The norm of imaginary frequency rotational p
olarizability is suggested for use as an additional disymmetry index.
Illustrative Hartree-Fock calculations of these chirality indices with
the 6-31G basis set are performed for hydrogen peroxide, water trimer
, and some amino acids.