A theoretical prediction about harnessing ESPT process for HBO derivatives
Sign Up to like & getrecommendations! Published in 2018 at "Structural Chemistry"
DOI: 10.1007/s11224-018-1116-2
Abstract: The different excited-state behaviors involved in excited-state proton transfer (ESPT) process of a series of 2-(2-hydroxyphenyl)benzoxazole (HBO) derivatives have been theoretically investigated. The primary bond lengths and bond angles were analyzed. Coupling with the infrared… read more here.
Keywords: state; espt process; hbo derivatives; bond ... See more keywords
Comparing the substituent effects about ESIPT process for HBO derivatives
Sign Up to like & getrecommendations! Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.03.016
Abstract: Abstract In this present work, we theoretically investigate the four HBO derivatives (i.e., HBO-NH2, HBO-OH, HBO-NO2, HBO-COOH) about their different excited state behaviors involved in excited state intramolecular proton transfer (ESIPT) process. Based on density… read more here.
Keywords: state; hbo derivatives; hbo; esipt process ... See more keywords