Study of fluorescence probe transfer mechanism based on a new type of excited-state intramolecular proton transfer

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Yumei DaiYangyang Zhao

Abstract

3-Hydroxyflavone (3-HF) is a typical representative of a new type of fluorescent molecular probe. The intramolecular proton transfer mechanisms of 3-HF and its derivatives have been studied theoretically based on detailed density functional theory. An optical physical cycle diagram of intramolecular proton transfer of 3-HF and its derivatives has been found based on the optimal configuration before and after proton transfer. An analysis of the absorption and fluorescence spectra of these probes explains their optical physical mechanism, which agrees well with experimental results. This correlation indicates that the adopted theory is reasonable and effective. The primary bond lengths, angles and infrared vibrational spectra indicate that the intramolecular hydrogen bonds were strengthened, which is an indication of the excited-state intramolecular proton transfer (ESIPT) processes. The constructed potential energy curves of the ground and first excited state based on these three chromophores provide the ESIPT mechanism, which demonstrates that potential barriers lower than the 6kcal/mol and justifies the ESIPT processes occur in the first excited state. The fluorescence quenching phenomenon has been explained based on the ESIPT...Continue Reading

References

Nov 25, 2014·Physical Chemistry Chemical Physics : PCCP·Jinfeng ZhaoFengcai Ma

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Citations

Jan 23, 2020·Journal of Computational Chemistry·Neethu AnandSivaranjana Reddy Vennapusa
Dec 12, 2019·The Journal of Chemical Physics·Neethu AnandSivaranjana Reddy Vennapusa

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