Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole

Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole

© 2017 American Chemical Society. Excited-state proton transfer (ESPT) processes of 2-(2′-hydroxyphenyl)benzimidazole (HBI) and its complexation with protic solvents (H2O, CH3OH, and NH3) have been investigated by both static calculations and dynamics simulations using density functional theory (DFT...

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Bibliographic Details
Main Authors: Chanatkran Prommin, Narissa Kanlayakan, Warinthon Chansen, Rusrina Salaeh, Khanittha Kerdpol, Rathawat Daengngern, Nawee Kungwan
Format: Journal
Published: 2018
Subjects:
Chemistry
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85027458859&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/56970
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Institution: Chiang Mai University

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https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85027458859&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/56970

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