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Investigation on the mechanism of ESIPT of 2-hydroxy-1-naphthaldehyde-(4-pyridinecarboxylic)-hydrazone and detection of Al3+ ion

Investigation on the mechanism of ESIPT of 2-hydroxy-1-naphthaldehyde-(4-pyridinecarboxylic)-hydrazone and detection of Al3+ ion

Authors :
Songsong Liu
Jihua Xu
Jie Pan
Dongmei Wei
Yuzhi Song
Yong Zhou
Source :
Canadian Journal of Physics. 97:721-725
Publication Year :
2019
Publisher :
Canadian Science Publishing, 2019.

Abstract

The sensing mechanism of 2-hydroxy-1-naphthaldehyde-(4-pyridinecarboxylic)-hydrazone for Al3+ is investigated based on the excited-state intramolecular proton transfer (ESIPT) and photo-induced electron transfer (PET) processes. Absorption and fluorescence spectra are calculated, which are consistent with experimental results. By analyzing the major bond parameters, infrared vibrational spectra as well as frontier molecular orbitals, it can be concluded that the hydrogen bond is enhanced in the first singlet excited state (S1), which can also be visualized by the reduced density gradient function. Potential energy curves are also scanned, which can elucidate that the ESIPT process is more likely to occur in the S1 state. Changes in molecular configuration and intensity of fluorescence emission confirmed that the ESIPT and PET processes are forbidden in the presence of Al3+.

Details

ISSN :
12086045 and 00084204
Volume :
97
Database :
OpenAIRE
Journal :
Canadian Journal of Physics
Accession number :
edsair.doi...........6d1e6123f0e0f382d91d474e48e679b6
Full Text :
https://doi.org/10.1139/cjp-2018-0503