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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書目詳細資料
Main Authors:	Chanatkran Prommin, Narissa Kanlayakan, Warinthon Chansen, Rusrina Salaeh, Khanittha Kerdpol, Rathawat Daengngern, Nawee Kungwan
格式:	雜誌
出版:	2018
主題:	Chemistry
在線閱讀:	https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85027458859&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/56970
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Chiang Mai University

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