Synthesis, structural, spectroscopic and optical studies of charge transfer complex salts

New charge transfer molecular complex adducts of picric acid (C6H3N3O7) with triethylamine (C6H15N) and dimethylformamide (HCON(CH3)2) were synthesized successfully for the first time. Chemical composition and stoichiometry of the synthesized complex salts were verified by CHN elemental analysis. Solubility of the complex salts have been determined by gravimetric method and single crystals of two new salts were grown by low temperature solution growth technique. Crystal system, crystalline nature and cell parameters of the grown crystals were determined by single crystal X-ray diffraction (SXRD) and powder X-ray diffraction (PXRD) analyses. The formations of the charge-transfer complex, functional groups and the modes of vibrations have been confirmed by Fourier transform infrared (FTIR) spectroscopy. In order to know the linear and nonlinear optical suitability for device fabrication, UV–Vis (UV) spectral analysis and relative second harmonic generation (SHG) efficiency test were performed for the grown crystals.

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► TEAP and DMFP were synthesized for the first time.
► Functional groups and modes of vibrations were identified by FTIR analysis.
► Optical band gap of TEAP and DMFP was 3.585 eV and 3.236 eV respectively.
► SHG efficiency of TEAP and DMFP was 1.62 and 0.72 times greater than KDP.