研究目的
Investigating the linear and non-linear optical properties of benzothiazole pyrazole containing emissive azo dyes decorated with ESIPT core.
研究成果
The study demonstrated that benzothiazole-pyrazole based emissive azo dyes with ESIPT core exhibit promising NLO properties, making them suitable for optoelectronic applications. The dyes showed good thermal stability and appreciable laser damage threshold values. Theoretical calculations supported the experimental findings, with the uB97 functional being particularly suitable for predicting NLO properties.
研究不足
The study is limited to the analysis of two positional isomers of azo dyes. The NLO properties were measured in specific solvents (acetone, ethanol, DMSO), which may not represent the behavior in all possible environments. The theoretical calculations rely on the accuracy of the DFT functionals used.
1：Experimental Design and Method Selection:
The study involved the synthesis and characterization of positional isomers of benzothiazole-pyrazole based azo dyes. The dyes were analyzed for their linear and non-linear optical properties using spectroscopic methods, Z-scan technique, and DFT calculations.
2：Sample Selection and Data Sources:
Two positional isomers of azo dyes (5CWG and 9CWG) containing benzothiazoles-ESIPT core were selected for the study. UV-Vis-fluorescence spectra were analyzed in acetonitrile solvent.
3：List of Experimental Equipment and Materials:
The study utilized a Z-scan technique for NLO properties, cyclic voltammetry (CV) for electrochemical analysis, and DFT for theoretical calculations. The equipment included an Nd: YAG laser for Z-scan measurements and a thermogravimetric analyzer (TGA) for thermal stability analysis.
4：Experimental Procedures and Operational Workflow:
The dyes were synthesized and characterized. Their optical properties were measured using UV-Vis and fluorescence spectroscopy. NLO properties were determined using the Z-scan technique. Thermal stability was assessed using TGA. DFT calculations were performed to gain structural insights and predict NLO properties.
5：Data Analysis Methods:
The data were analyzed using DFT for theoretical predictions and compared with experimental results. The Z-scan data were used to calculate non-linear optical parameters such as b, n2, and c(3).
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