Quantum Chemistry Calculation Study on Photosensitization of Perylenequinonoid Derivatives.
AM1 method has been employed to calculate perylenequinonoid photosensitizers (PQDs). Parameters such as heat of formation (HF), HOMO, LUMO levels and spin density destribution of free radicals are obtained. In combination with experimental results, several photophysical and photochemical characteristics of PQDs are elucidated, which lay a foundation for investigating photosensitive mechanisms of PQDs further.
Zhang
Hong-Yu
HY
Department of Biology, Provincial Key Laboratory of Animal Resistance Biology, Shangdong Normal University, Jinan 250014, China.