Chiral properties of H2-O2 as a function of the dihedral angle

GABRIEL I. PAGOLA; MARTA B. FERRARO; STEFANO PELLONI; PAOLO LAZZERETTI

Montevideo

Congreso; Reunion Anual de la Asociacion Fisica Argentina; 2011

Asociacion Fisica Argentina/Sociedad Uruguaya de Fisica

A series of tensor and pseudoscalar chiral properties (optical rotatory power, nuclear electro-magnetic and magneto-electric shieldings, nuclear magnetic shielding polarisability, and nuclear spin - spin coupling polarisability) have been evaluated as a function of the dihedral angle δ. These chiral properties vanish for δ = 0 and δ = 180°, i.e., for molecular configurations possessing a symmetry plane. However, there are other values of the dihedral angle at which chiral properties also vanish. The origin of this behavior is investigated.