Excited state intramolecular proton transfer and topography of conical intersection of aromatic hydrazone Schiff bases

Ban-Jing Chen,Yu-Fang Zeng,An-Tai Wu,Ching-Han Hu

Chemical Physics Letters（2022）

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摘要

•ESIPT of all investigated species are barrierless.•Marked difference between energy profiles of quinolone versus phenol groups in aromatic hydrazone Schiff bases.•Topographic parameters calculated at MECI geometries.•Dot products between gradient of S1 and g and h vectors at Franck-Condon geometries were obtained.

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关键词

Hydrazone,Schiff base,Conical intersection,Topography

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