A study of the effect of circularly polarized light on NMF spectra and related properties of CS2

• Published in: Molecular physics Vol. 96; no. 5; pp. 855 - 861
• Main Authors: JASZUŃSKI, MICHAŁ, RIZZO, ANTONIO
• Format: Journal Article
• Language: English
• Published: Taylor & Francis Group 10.03.1999
• ISSN: 0026-8976; 1362-3028
• DOI: 10.1080/00268979909483023

In a recent paper Buckingham and Parlett (1997, Molec. Phys., 91, 805) have shown that circularly polarized light produces an induced magnetic moment (in the inverse Faraday effect), and a magnetic field, whose intensity at the nucleus K can be expressed in terms of a frequency dependent quadratic response function, b (K) (ω). We present ab initio calculations of this property. The effect of circularly polarized light on the chemical shielding of 13 C and 33 S in carbon disulphide is studied within the multiconfigurational SCF response approach. We discuss also the frequency dependence of the Verdet constant, V(ω). The ratio of the averaged b (K) (ω) to α′ (B (0) , ω)-which describes the effect of the magnetic field upon the antisymmetric polarizability α′ (ω) and is proportional to V(ω)-is computed, and compared to the ratio of the paramagnetic nuclear shielding constant and the paramagnetic magnetizability, to ascertain the accuracy of the approximate relationship given by Buckingham and Parlett.