Autor:	Probal Nag, Sai Vamsi Krishna Isukapalli, Akashdeep Nath, Sivaranjana Reddy Vennapusa
Rok vydání:	2022
Předmět:	Anthraquinones Protons Physical and Theoretical Chemistry
Zdroj:	The Journal of Physical Chemistry A. 126:3680-3687
ISSN:	1520-5215 1089-5639
Popis:	Triplet formation pathways in 9,10-anthraquinone (AQ) and its hydroxy derivative, 1-hydroxyanthraquinone (HAQ), are studied theoretically. Dynamics simulations on the model singlet-triplet potential energy surfaces within the linear vibronic coupling framework are performed to elucidate possible internal conversion (IC) and intersystem crossing (ISC) pathways in these molecules. An ultrafast IC decay from the "bright" S
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9183645073dba15f10d547dca07a0e25 https://doi.org/10.1021/acs.jpca.2c01980 Zobrazit plný text záznamu