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

Кривулько К.Ф., Клищенко А.П. Электронные спектры поглощения комплексов органических соединений с вырожденными по энергии молекулярными орбиталями // Оптический журнал. 2009. Т. 76. № 3. С. 3–8.

Krivulko K.F., Klishchenko A.P. Electronic absorption spectra of complexes of organic compounds having energy-degenerate molecular orbitals [in Russian] // Opticheskii Zhurnal. 2009. V. 76. № 3. P. 3–8.

K. F. Krivul’ko and A. P. Klishchenko, "Electronic absorption spectra of complexes of organic compounds having energy-degenerate molecular orbitals," Journal of Optical Technology. 76 (3), 115-119 (2009). https://doi.org/10.1364/JOT.76.000115

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.