Computational Insights into Excited State Intramolecular Double Proton Transfer Behavior Associated with Atomic Electronegativity for Bis(2′-benzothiazolyl)hydroquinone

• Published in: Molecules (Basel, Switzerland) Vol. 28; no. 16; p. 5951
• Main Authors: Zhao, Jinfeng, Liu, Chang
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 08.08.2023; MDPI
• Subjects: atomic electronegativity; Behavior; charge reorganization; excited state double proton transfer; excited state hydrogen bond; Hydrogen bonds; Investigations; potential energy surface; Protons; Symmetry

Inspired by the distinguished regulated photochemical and photophysical properties of 2-(2′-hydroxyphenyl)benzazole derivatives, in this work, the novel bis(2′-benzothiazolyl)hydroquinone (BBTHQ) fluorophore is explored, looking at its photo-induced behaviors associated with different substituted at...