Abstract
The structure and photophysical properties of the Zn(II) complex with the novel fluorescent Schiff base ligand L: (E)-N′-((2-hydroxynaphthalen-1-yl) ethylene)acetohydrazide have been investigated. X-ray crystallography has proved the neutral, mononuclear complex: [ZnL2]·H2O·DMF, ZnL. The crystal packing proves intramolecular-interactions between the alternating naphthalene rings. Photophysical measurements of the complex in solvents of varying polarity (DCM, THF and DMSO) provide evidence for the formation of molecular aggregates in non-polar solvents that enhance the energy of the S0-S1 level. In the solid states, the complex exhibits unusual blue-shifted emission with respect to the ligand, due to excited state intermolecular proton transfer (ESIPT) within the ZnL molecules in the lattice. The experimental measurements are also complimented by DFT and TD-DFT calculations in the gas-phase and solution states.
| Original language | English |
|---|---|
| Pages (from-to) | 96-103 |
| Number of pages | 8 |
| Journal | Journal of Photochemistry and Photobiology A: Chemistry |
| Volume | 314 |
| DOIs | |
| Publication status | Published - Jan 1 2016 |
Fingerprint
Keywords
- Aggregation
- Crystal structure
- DFT
- Emission
- Zinc
ASJC Scopus subject areas
- Chemistry(all)
- Chemical Engineering(all)
- Physics and Astronomy(all)
Cite this
Excitation and emission properties of Zn(II) Schiff base complex by combined crystallographic, spectroscopic and DFT studies. / Al Rasbi, Nawal K.; Husband, John.
In: Journal of Photochemistry and Photobiology A: Chemistry, Vol. 314, 01.01.2016, p. 96-103.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Excitation and emission properties of Zn(II) Schiff base complex by combined crystallographic, spectroscopic and DFT studies
AU - Al Rasbi, Nawal K.
AU - Husband, John
PY - 2016/1/1
Y1 - 2016/1/1
N2 - The structure and photophysical properties of the Zn(II) complex with the novel fluorescent Schiff base ligand L: (E)-N′-((2-hydroxynaphthalen-1-yl) ethylene)acetohydrazide have been investigated. X-ray crystallography has proved the neutral, mononuclear complex: [ZnL2]·H2O·DMF, ZnL. The crystal packing proves intramolecular-interactions between the alternating naphthalene rings. Photophysical measurements of the complex in solvents of varying polarity (DCM, THF and DMSO) provide evidence for the formation of molecular aggregates in non-polar solvents that enhance the energy of the S0-S1 level. In the solid states, the complex exhibits unusual blue-shifted emission with respect to the ligand, due to excited state intermolecular proton transfer (ESIPT) within the ZnL molecules in the lattice. The experimental measurements are also complimented by DFT and TD-DFT calculations in the gas-phase and solution states.
AB - The structure and photophysical properties of the Zn(II) complex with the novel fluorescent Schiff base ligand L: (E)-N′-((2-hydroxynaphthalen-1-yl) ethylene)acetohydrazide have been investigated. X-ray crystallography has proved the neutral, mononuclear complex: [ZnL2]·H2O·DMF, ZnL. The crystal packing proves intramolecular-interactions between the alternating naphthalene rings. Photophysical measurements of the complex in solvents of varying polarity (DCM, THF and DMSO) provide evidence for the formation of molecular aggregates in non-polar solvents that enhance the energy of the S0-S1 level. In the solid states, the complex exhibits unusual blue-shifted emission with respect to the ligand, due to excited state intermolecular proton transfer (ESIPT) within the ZnL molecules in the lattice. The experimental measurements are also complimented by DFT and TD-DFT calculations in the gas-phase and solution states.
KW - Aggregation
KW - Crystal structure
KW - DFT
KW - Emission
KW - Zinc
UR - http://www.scopus.com/inward/record.url?scp=84940706325&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84940706325&partnerID=8YFLogxK
U2 - 10.1016/j.jphotochem.2015.08.007
DO - 10.1016/j.jphotochem.2015.08.007
M3 - Article
AN - SCOPUS:84940706325
VL - 314
SP - 96
EP - 103
JO - Journal of Photochemistry and Photobiology A: Chemistry
JF - Journal of Photochemistry and Photobiology A: Chemistry
SN - 1010-6030
ER -