Theoretical investigation of 2-(iminomethyl)phenol in the gas phase as a prototype of ultrafast excited-state intramolecular proton transfer
© 2016 Elsevier B.V. All rights reserved. Photophysical properties of the smallest o-hydroxy Schiff base, 2-(iminomethyl)phenol (IMP), were elucidated using B3LYP and RI-ADC(2) methods. Cis-enol is the most stable conformation in ground state. Potential energy profiles show that enol-keto tautomeriz...
محفوظ في:
المؤلفون الرئيسيون: | Rathawat Daengngern, Chanatkran Prommin, Thanyada Rungrotmongkol, Vinich Promarak, Peter Wolschann, Nawee Kungwan |
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التنسيق: | دورية |
منشور في: |
2018
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الموضوعات: | |
الوصول للمادة أونلاين: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84971509056&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/55448 |
الوسوم: |
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المؤسسة: | Chiang Mai University |
مواد مشابهة
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Theoretical investigation of 2-(iminomethyl)phenol in the gas phase as a prototype of ultrafast excited-state intramolecular proton transfer
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Theoretical study on influence of geometry controlling over the excited-state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline and its derivatives
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Electronic and photophysical properties of 2-(2′-hydroxyphenyl)benzoxazole and its derivatives enhancing in the excited-state intramolecular proton transfer processes: A TD-DFT study on substitution effect
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Electronic and photophysical properties of 2-(2′-hydroxyphenyl)benzoxazole and its derivatives enhancing in the excited-state intramolecular proton transfer processes: A TD-DFT study on substitution effect
بواسطة: Rathawat Daengngern, وآخرون
منشور في: (2018)