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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
- 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+.
- Subjects :
- Physics
chemistry.chemical_classification
Proton
General Physics and Astronomy
Hydrazone
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
Photochemistry
01 natural sciences
0104 chemical sciences
Ion
chemistry
Intramolecular force
0210 nano-technology
Mechanism (sociology)
Subjects
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