Abstract
The quantum chemistry method of intermediate neglect of differential overlap (INDO) with spectroscopic parameterization is used to study the spectroscopic-luminescent and physical characteristics of psoralen and its isomers and methoxysubstitutes. Efficient intersystem conversion, which causes significant population of triplets, is observed for the examined compounds. Effects of isomerism and methoxysubstitution on the energy level diagram, photoelectron spectrum, and dipole moments are demonstrated. The efficiency of psoralen sensitizers is examined.
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