Abstract

Calculation of Spin Orbit Coupling of Tungsten (III) Complexes: A DFT Application

M. L. Sehgal

DOI : http://dx.doi.org/10.13005/ojc/330263

Abstract:

Making use of DFT, we could calculate Spin Orbit Coupling Constant (l_complex) values of the five tungsten (III) complexes which were difficult to arrive at experimentally since there would always occur errors during the determination of their contributing parameters like CFSE and (A_ten).

Keywords:

Coupling; Stabilization;

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