Abstract
Results of theoretical research for seven psoralen molecules: psoralen, 5-methoxypsoralen, 8-methoxypsoralen, angelicin, pseudoisopsoralen, isopseudopsoralen, and allopsoralen, are presented. Schemes of photophysical processes in psoralens based on quantum chemical calculation by the INDO method are analyzed. Effects of isomerism and methoxysubstitution on the energy level diagram are demonstrated. The rate constants of intersystem and internal conversions are calculated. We obtained rather high intersystem conversion constant that influences on the fluorescent yield of psoralens.
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