Electronic absorption spectra of complexes of organic compounds having energy-degenerate molecular orbitals

Autor: Krivul'ko, K. F., Klishchenko, A. P.
Zdroj: Journal of Optical Technology; March 2009, Vol. 76 Issue: 3 p115-119, 5p
Abstrakt: This paper analyzes the results of calculations of the electronic spectra of derivatives of phthalimide and 9-cyanoanthracene, using the modified ω technique. Special attention is paid to molecular complexes whose energy spectra include molecular orbitals with energies that are close in value--namely, solvates of phthalimide derivatives in ethyl and butyl acetate and a van der Waals complex of 9-cyanoanthracene with chloroform. The theory of perturbed molecular orbitals is used to interpret the resulting regularities. It is shown that the interelectron repulsion between the π electrons of a molecular complex (with energy-degenerate molecular orbitals) is decisive in forming the specific component of the spectral shift.
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