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Updated: May 3, 2026

Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach
Published on: June 10, 2021
Spectral studies of 2-pyrazoline derivatives: structural elucidation through single crystal XRD and DFT calculations
D Chinnaraja1, R Rajalakshmi1, T Srinivasan2
1Department of Chemistry, Annamalai University, Annamalainagar 608 002, Tamil Nadu, India.
Abstract:
A series of biologically active N-thiocarbamoyl pyrazoline derivatives have been synthesized using anhydrous potassium carbonate as the catalyst. All the synthesized compounds were characterized by FT-IR, (1)H NMR, (13)C NMR spectral studies, LCMS, CHN Analysis and X-ray diffraction analysis (compound 7). In order to supplement the XRD parameters, molecular modelling was carried out by Gaussian 03W. From the optimized structure, the energy, dipolemoment and HOMO-LUMO energies of all the systems were calculated.
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