Theoretical insight into the excited-state intramolecular proton transfer mechanisms of three amino-type hydrogen-bonding molecules

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• 作者：Beibei An ; Huijuan Yuan ; Qiuling Zhu ; Yuanyuan Li ; Xugeng Guo ; ^{xgguo@henu.edu.cn} ; Jinglai Zhang ; ^{zhangjinglai@henu.edu.cn}
• 关键词：ESIPT ; DFT/TD-DFT ; Intramolecular hydrogen bond ; Cis-trans isomerization ; Potential energy curve
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：2017
• 出版时间：15 March 2017
• 年：2017
• 卷：175
• 期：Complete
• 页码：36-42
• 全文大小：1334 K
• 卷排序：175

文摘

A stronger intramolecular hydrogen-bond leads to a lower energy barrier in the ESIPT reaction. The fluorescence behaviors of three amino-type hydrogen-bonding molecules are significantly different. There may exist a long-lived trans-tautomer species in their ground states.