Publisher: Chemical Society of Nigeria

Perturbation Effects of Solvent On The Electronic Intensity of Solvated Chromophores

S. A. Ahmed, N. O. Obi-egbedi, I. Iweibo
KEYWORDS: Quantum-mechanical, Hamiltonian operator, solute-solvent interaction, linear regression mode, transition polarizabilities

ABSTRACT:

As an extension of our earlier work on the theory of electronic intensity of an ensemble of absorbing molecules in solution or condensed media, [Idowu Iweibo et al, (1990), J. Chem. Phys., 93(4), 2238], we present a general expression originating from quantum-mechanical perturbation treatment of electronic intensities and Hamiltonian operators for the system (HA and HB) of an absorber and a perturber respectively. The expression is related to the Longuet-Higgins’ definition of solute-solvent interaction and fitted into linear regression mode for the determination of transition polarizabilities of 9H-xanthene, 9H-xathone and 9H-xanthione. The results obtained conform to those earlier obtained when all possible interaction modes are considered.


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