期刊
MATERIALS CHEMISTRY FRONTIERS
卷 3, 期 6, 页码 1225-1230出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9qm00179d
关键词
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资金
- National Natural Science Foundation of China (NSFC) [21503069, 21676071]
- Program for Henan Innovative Research Team in University [15IRTSTHN005]
An excited-state intramolecular proton transfer (ESIPT) reaction triggered by the second excited singlet S2 state is found by sophisticated ab initio calculations to be an ultrafast process for a novel fluorescent dye of 2-((5-(3-hydroxy-4-oxo-4H-chromen-2-yl) thiophen-2-yl) methylene) malononitrile, 3-HTC-DiCN, which can thoroughly compete with internal conversion from the S2 state to the lowest S1 state, thus leading to the remarkable enhancement of fluorescence quantum yield arising from the proton-transfer tautomer emission as well as the corresponding decrease of the normal emission quantum yield. This is in apparent discrepancy to Kasha's rule.
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