NONLINEAR OPTICAL (NLO) MATERIALS: BIS(2-METHYL-4-NITROANILINIUM) HEXACHLORO-TIN(IV) MONOHYDRATE. QUANTUM CHEMICAL CALCULATIONS. SYNTHESIS, CRYSTAL STRUCTURE, HIRSHFELD SURFACE ANALYSIS, CRYSTAL VOIDS.
Referat
2-Methyl-4-nitroaniline (2m4na) and Tin(IV) chloride formed a nonlinear optical material. The molecula obtained nonlinear optical material(NLO)=(2m4na)2SnCl6·H2O-bis(2-Methyl-4-nitroanilinium)hexachloro-Tin(IV) monohydrate.In all the crystal structures presented, cations and anions are arranged alternatively to form chain and ring hydrogen-bonding patterns consisting of weak unconventional N−H•••Cl hydrogen bonds. The compound was first analyzed using single-crystal X-ray diffraction to determine its crystal structure. Subsequently, FTIR (Fourier-transform infrared spectroscopy) and UV-visible absorption spectroscopy studies were conducted to provide insights into the compound's chemical composition and electronic transitions. Nonlinear optical materials were studied by Hirshfield surface analysis and crystal void parts.
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Kavitha G. et al. Synthesis, crystal structure, Hirshfeld surface, DFT calculations, Z-scan and nonlinear optical studies of novel flourinated hexahydropyrimidine //Journal of Molecular Structure. – 2021. – Т. 1228. – С. 129484.
Maidur S. R. et al. Structural characterizations, Hirshfeld surface analyses, and third-order nonlinear optical properties of two novel chalcone derivatives //Optical Materials. – 2018. – Т. 75. – С. 580-594.
Shruthi C. et al. Molecular structure, Hirshfeld surface and density functional theoretical analysis of a NLO active chalcone derivative single crystal—A quantum chemical approach //Journal of Molecular Structure. – 2021. – Т. 1228. – С. 129739.
Jayaprakash P., Selvaraj S., Kumar A. R. A new organic compound (C9H12N2O2): crystal structure, characterization, Hirshfeld surface analysis, electronic properties, NLO properties, DFT calculation and molecular docking //Solid State Sciences. – 2024. – С. 107587.
Mohamed S. K. et al. Synthesis, crystal structure, Hirshfeld surface analysis, energy framework, NBO-NLO analysis of new ethyl 2-benzoyl-3, 3-bis (methylthio) acrylate //Structural Chemistry. – 2024. – Т. 35. – №. 4. – С. 1099-1111.
Tahir M. N. et al. Synthesis, Characterizations, Hirshfeld Surface Analysis, DFT, and NLO Study of a Schiff Base Derived from Trifluoromethyl Amine //ACS omega. – 2024. – Т. 9. – №. 2. – С. 2325-2338.
Jayaprakash P., Rajamanickam R., Selvaraj S. Quantum computational investigation into the optoelectronic and NLO properties of C8H8O3. C3H7NO2 single crystal //Journal of Molecular Structure. – 2025. – Т. 1319. – С. 139488.
Sateesha D. et al. Crystal structure, third-order nonlinear optical property relationship, density functional theory, and in silico bio activity of organic non-centrosymmetric crystal (E)-1-(thiophen-2-yl)-3-(p-tolyl) prop-2-en-1-one //Structural Chemistry. – 2024. – С. 1-14.
Khairul W. M. et al. Deciphering ethynyl single crystal for NLO applications: Synergistic studies on the structural, Hirshfeld surface, photophysical and DFT assessment //Optical Materials. – 2024. – Т. 147. – С. 114726.
Makhlouf J. et al. Single crystal investigations, Hirshfeld surface analysis, DFT studies, molecular docking, physicochemical characterization, antiferromagnetic behavior, and biological activity of Bis (Homopiperazinium)-Nickel Diaquatetrakis (Isothiocyanato)-Nickel //Polyhedron. – 2024. – Т. 256. – С. 116997.
Karthika K. et al. Crystal Structure, Hirshfeld Surface, Optical, Thermal, NLO, and DFT Analyses of 5‐Methyl‐1H‐Imidazole‐3‐Ium‐4‐Carboxybutanoate crystal //Crystal Research and Technology. – 2024. – Т. 59. – №. 5. – С. 2300171.
Neela M., Premalatha B., Punitha P. A comparative study of second order Non-linear optical crystals derived from chloro-and dichloro-aniline //Computational and Theoretical Chemistry. – 2024. – Т. 1235. – С. 114552.
Rafik A. et al. Crystal growth, morphological, mechanical, spectroscopic studies, optical properties, molecular docking, ADME/T, Hirshfeld surfaces analysis and theoretical calculations of hybrid organic-inorganic phosphate compound //Inorganic Chemistry Communications. – 2024. – Т. 160. – С. 111828.
Balakrishnan C. et al. Synthesis, crystal growth, structural characterization and third-order NLO properties of caesium trihydrodiphthalate //Journal of Materials Science: Materials in Electronics. – 2024. – Т. 35. – №. 31. – С. 2018.
Jeyanthi P. et al. Investigations on the growth, spectral, optical, hirshfeld surface, electrical, thermal and nonlinear optical properties of 4-aminopyridinium 4-carboxybutanoate single crystal //Journal of Materials Science: Materials in Electronics. – 2024. – Т. 35. – №. 23. – С. 1568.
Priya B. S., Babu D. R. Synthesis, Hirshfeld Surfaces and Characterization of Diethanolaminium 3, 5-dinitrosalicylate single crystal for NLO application //Results in Physics. – 2025. – Т. 68. – С. 108077
Raish M. et al. Hirshfeld surface analysis, experimental and theoretical evaluation of a new monohydrated organic salt of 2-amino-4 hydroxy-6-methylpyrimidine (AHMP) and 4-acetamidobenzoic acid (AMBA) for nonlinear optical applications //Journal of Molecular Structure. – 2024. – Т. 1314. – С. 138713.
Vijayan N. et al. Synthesis, crystal structure, Hirshfeld surface analysis and nonlinear optical characteristics of glycine cobalt sulfate pentahydrate single crystal //Inorganic Chemistry Communications. – 2024. – Т. 164. – С. 112392.
Mohamed S. K. et al. Synthesis, crystal structure, Hirshfeld surface analysis, energy framework, NBO-NLO analysis of new ethyl 2-benzoyl-3, 3-bis (methylthio) acrylate //Structural Chemistry. – 2024. – Т. 35. – №. 4. – С. 1099-1111.