Abstract

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.

© 2009 Optical Society of America

Single excited molecular orbitals’ contribution in Uv-Vis absorption of dichloride-bis(5,7-dichloroquinolin-8-olato)tin(IV)

A. Allahi, M. B. Fathi, and E. Mohajerani
Opt. Mater. Express 7(8) 2715-2726 (2017)

Classification and Assignments of Ultraviolet Spectra of Conjugated Organic Molecules

John R. Platt
J. Opt. Soc. Am. 43(4) 252-257 (1953)

Relationship between electron–phonon coupling and intermolecular interaction parameters in dye-doped organic glasses

I. Renge
J. Opt. Soc. Am. B 9(5) 719-723 (1992)

Effects of separated absorption and emission spectra on degenerate four-wave mixing in organic dyes

J. A. Buck, A. Dienes, and J. R. Whinnery
J. Opt. Soc. Am. 71(11) 1381-1384 (1981)

Utility of Gaussian-Type Orbitals in Molecular Collisions: Electronic Excitation of the First Positive System of the Nitrogen Molecule

S. Chung and Chun C. Lin
Appl. Opt. 10(8) 1790-1794 (1971)