Peculiarities of exited state intramolecular proton transfer in 2-amino-3-(2′-benzazolyl)-quinolines

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• 作者：M. N. Khimich ; V. L. Ivanov ; M. Ya. Mel’nikov ; B. M. Uzhinov
• 关键词：fluorescence ; excited ; state intramolecular proton transfer ; excited state relaxation ; quantumchemical calculations ; Firefly ; XMCQDPT2 ; TDDFT
• 刊名：High Energy Chemistry
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：51
• 期：1
• 页码：17-23
• 全文大小：n>
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Physical Chemistry;
• 出版者：Pleiades Publishing
• ISSN：1608-3148
• 卷排序：51

文摘

It has been shown that a low fluorescence quantum yield of 2-amino-3-(2′-benzoxazolyl)-quinoline (ABO) and 2-amino-3-(2′-benzothiazolyl)-quinoline (ABT) is due to the relaxation process caused by excited state intramolecular proton transfer (ESIPT). Quantum-chemical calculations have revealed that ESIPT in these compounds is characterized by overcoming a potential barrier, with the lower basicity of the proton-accepting moiety in ABO resulting in a higher barrier than in ABT and, thereby, determining a substantial difference in their fluorescence quantum yields.