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...

وصف كامل

محفوظ في:

التفاصيل البيبلوغرافية
المؤلفون الرئيسيون:	Chanatkran Prommin, Narissa Kanlayakan, Warinthon Chansen, Rusrina Salaeh, Khanittha Kerdpol, Rathawat Daengngern, Nawee Kungwan
التنسيق:	دورية
منشور في:	2018
الموضوعات:	Chemistry
الوصول للمادة أونلاين:	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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مواد مشابهة

Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole
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منشور في: (2018)

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منشور في: (2017)

Theoretical insights into photoinduced proton transfer of 7-hydroxyquinoline via intermolecular hydrogen-bonded wire of mixed methanol and water
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