研究目的
Investigating the synthesis, characterization, and photophysical properties of a novel pyrene-naphthalene based Schiff base ligand and its copper(II) complexes, including theoretical investigations using DFT calculations.
研究成果
The synthesis and characterization of a novel pyrene-naphthalene based Schiff base ligand and its Cu(II) complexes were successfully carried out. The photophysical properties were studied, revealing significant shifts in wavelength due to quenching of the organic chromophore on the ligand upon complexation. DFT calculations provided insights into the local reactivity properties of the molecules, indicating higher reactivity of one of the complexes towards electrostatic based interactions and electrophilic attacks.
研究不足
The study is limited to the synthesis and characterization of the Schiff base ligand and its Cu(II) complexes, with theoretical investigations using DFT calculations. The practical applications of these compounds are not explored in depth.
1：Experimental Design and Method Selection:
The synthesis of the Schiff base ligand and its Cu(II) complexes was carried out through condensation reactions, followed by characterization using NMR, FT-IR, ESI-HRMS, electronic absorption, and fluorescence spectroscopy. DFT calculations were employed for theoretical investigations.
2：Sample Selection and Data Sources:
1-Pyrenecarboxaldehyde and 1,8-Diaminonaphthalene were used as starting materials. The reactions were monitored by TLC, and the products were characterized by various spectroscopic techniques.
3：List of Experimental Equipment and Materials:
Mettler Toledo for melting point, Perkin-Elmer spectrometer for FT-IR, Bruker Avance DPX spectrometer for NMR, Agilent mass spectrometer for ESI-MS, 2401PC UV-VIS-NIR scanning spectrophotometer for electronic absorption spectra, SPEX Fluorolog F112X spectrofluorimeter for fluorescence experiments, Universal TGA Q50 instrument for thermogravimetric analysis.
4：Experimental Procedures and Operational Workflow:
The ligand was synthesized by reacting 1-Pyrenecarboxaldehyde and 1,8-Diaminonaphthalene in methanol with acetic acid as a catalyst. The Cu(II) complexes were synthesized by reacting the ligand with Cu(CH3COO)2.H2O in DMF and methanol.
5：H2O in DMF and methanol. Data Analysis Methods:
5. Data Analysis Methods: The spectroscopic data were analyzed to confirm the molecular structures of the synthesized compounds. DFT calculations were used to analyze quantum-molecular descriptors.
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Perkin-Elmer spectrometer
version 10.03.09
Perkin-Elmer
FT-IR spectral measurements.
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Bruker Avance DPX spectrometer
500 MHz
Bruker
1H and 13C NMR measurements.
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1-Pyrenecarboxaldehyde
Sigma Aldrich
Starting material for the synthesis of the Schiff base ligand.
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1,8-Diaminonaphthalene
Sigma Aldrich
Starting material for the synthesis of the Schiff base ligand.
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Mettler Toledo
Mettler Toledo
Recording melting points of the compounds.
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Agilent mass spectrometer
Agilent
ESI-MS analysis.
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2401PC UV-VIS-NIR scanning spectrophotometer
Recording electronic absorption spectra.
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SPEX Fluorolog F112X spectrofluorimeter
SPEX
Steady-state fluorescence experiments.
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Universal TGA Q50 instrument
Universal
Thermogravimetric analysis.
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