研究目的
Investigating the solvent-selective photoluminescence quenching of a bichromophoric pyrazoline derivative, particularly its fluorescence quenching by chloromethanes, and developing a plausible mechanism for this effect.
研究成果
The bichromophoric pyrazoline derivative exhibits selective fluorescence quenching by chloromethanes, primarily through a static quenching mechanism as supported by Stern-Volmer analysis and molecular modeling. This property has potential applications in developing fluorescence sensors for detection and treatment in medical contexts. Future research could explore broader solvent interactions and practical sensor implementations.
研究不足
The study is limited to the specific pyrazoline derivative and its interactions with chloromethanes; the quenching mechanism may involve complex static and dynamic components, and the computational models rely on approximations in DFT methods. Generalizability to other compounds or solvents may require further investigation.
1:Experimental Design and Method Selection:
The study involved the synthesis of a pyrazoline derivative, structural characterization using NMR, FT-IR, elemental analysis, and X-ray crystallography, optical studies including UV-Vis and fluorescence spectroscopy, and molecular modeling using DFT methods. The fluorescence quenching mechanism was analyzed using the Stern-Volmer equation.
2:Sample Selection and Data Sources:
The compound 1,3-diphenyl-5-{4-[(4-vinylbenzyl)oxy]phenyl}-4,5-dihydropyrazole was synthesized and used as the sample. Solvents such as toluene, chloroform, DMSO, and carbon tetrachloride were used for optical measurements.
3:List of Experimental Equipment and Materials:
Equipment included a MEL-TEMP capillary melting point apparatus, PerkinElmer 2400 Series II CHNS/O system, Bruker Avance 400-MHz spectrometer, FT-IR Bruker Vertex 70 instrument, SPECORD 210 Plus Analytik Jena spectrophotometer, Perkin-Elmer LS 55 spectrofluorometer, Oxford-Diffraction XCALIBUR E CCD equipment, and computational resources with Gaussian09 and GaussView 5 software. Materials included chemical reagents and solvents from Sigma-Aldrich.
4:Experimental Procedures and Operational Workflow:
Synthesis involved Williamson ether synthesis, Claisen-Schmidt condensation, and condensation with phenylhydrazine. Optical measurements were conducted in various solvents with specific concentrations and excitation wavelengths. Molecular modeling included geometry optimization and TD-DFT calculations.
5:Data Analysis Methods:
Data were analyzed using NMR spectroscopy, UV-Vis and fluorescence spectrometry, X-ray crystallography with CrysAlis and Olex2 software, and computational methods with Gaussian09 for DFT and TD-DFT calculations, including the Stern-Volmer equation for quenching analysis.
独家科研数据包,助您复现前沿成果,加速创新突破
获取完整内容-
PerkinElmer 2400 Series II CHNS/O system
2400 Series II
PerkinElmer
Conducting elemental analysis
-
Bruker Avance 400-MHz spectrometer
Avance 400-MHz
Bruker
Recording 1H and 13C NMR spectra
-
FT-IR Bruker Vertex 70 instrument
Vertex 70
Bruker
Taking FT-IR spectra in transmission mode using KBr pellets
-
SPECORD 210 Plus Analytik Jena spectrophotometer
210 Plus
Analytik Jena
Recording UV-Vis absorption spectra
-
Perkin-Elmer LS 55 spectrofluorometer
LS 55
Perkin-Elmer
Collecting fluorescence spectra
-
MEL-TEMP capillary melting point apparatus
Measuring melting points of compounds
-
Oxford-Diffraction XCALIBUR E CCD equipment
XCALIBUR E CCD
Oxford-Diffraction
Carrying out single crystal X-ray measurements with Mo-Kα radiation
-
Gaussian09 software
09
Gaussian
Performing molecular modeling computations using DFT methods
-
GaussView 5 graphical-interface program
5
Semichem
Analyzing molecular modeling results
-
YASARA program
YASARA
Employed for conformational analysis and explicit solute-solvent interaction simulation
-
登录查看剩余8件设备及参数对照表
查看全部