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Excited-state intramolecular proton transfer with and without the assistance of vibronic-transition-induced skeletal deformation in phenol–quinoline

The excited-state intramolecular proton transfer (ESIPT) reaction of two phenol–quinoline molecules (namely PQ-1 and PQ-2) were investigated using time-dependent density functional theory. The five-(six-) membered-ring carbocycle between the phenol and quinolone moieties in PQ-1 (PQ-2) actually caus...

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Detalles Bibliográficos
Autores principales:	Liu, Yu-Hui, Yu, Shi-Bo, Peng, Ya-Jing, Wang, Chen-Wen, Zhu, Chaoyuan, Lin, Sheng-Hsien
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9043822/ https://www.ncbi.nlm.nih.gov/pubmed/35496430 http://dx.doi.org/10.1039/d1ra07042h

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