title: Synthesis, growth, structure and spectroscopic characterization of a new organic nonlinear optical hydrogen bonding complex crystal: 3-carboxyl anilinium p-toluene sulfonate.
abstract: A new organic nonlinear optical hydrogen bonding complex salt of 3-carboxyl anilinium p-toluene sulfonate has been synthesized and highly transparent good quality single crystals of it were successfully grown employing slow solvent evaporation solution growth technique at ambient temperature. The (1)H and (13)C NMR spectra were recorded to establish the molecular structure. The single crystal XRD analysis carried out reveals that the title salt crystallizes in monoclinic crystal system with non-centrosymmetric P2₁ space group. The FT-IR spectrum was recorded to confirm the presence of various functional groups in the grown title crystal. The UV-Vis-NIR transmission spectrum was recorded to apprehend the suitability of the single crystal of the title salt for various optical and NLO applications. The TG/DTA thermal analysis was performed to establish the thermal stability of the crystal. The SHG activity in the grown crystal was identified employing the modified Kurtz-Perry powder test. The electronic charge distribution and reactivity of the molecules within the title complex was studied by HOMO and LUMO analysis and the molecular electrostatic potential (MEP) of the title crystal was performed using the B3LYP method.
authors: Department of Chemistry, SRMV College of Arts and Science, Coimbatore 641020, TN, India.
authors: E
authors: E
authors: Selvakumar
authors: Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603110, TN, India.
authors: G
authors: G
authors: Anandha babu
authors: Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603110, TN, India.
authors: P
authors: P
authors: Ramasamy
authors: X-ray Crystallography Laboratory, Post-Graduate Department of Physics, University of Jammu, Jammu Tawi 180006, India.
authors: Rajnikant
authors: Department of Physics, Government Arts College for Women (Autonomous), Pudukottai 622001, TN, India.
authors: T
authors: T
authors: Uma Devi
authors: Department of Physics, Cauvery College For Women, Trichy 600018, TN, India.
authors: R
authors: R
authors: Meenakshi
authors: Department of Chemistry, SRMV College of Arts and Science, Coimbatore 641020, TN, India. Electronic address: dracmsrmvcas@gmail.com.
authors: A
authors: A
authors: Chandramohan
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry*; D001557:Benzenesulfonates / Q000138:chemical synthesis* / Q000737:chemistry*; D003460:Crystallization; D018360:Crystallography, X-Ray; D004055:Differential Thermal Analysis; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D017711:Nonlinear Dynamics; D013056:Spectrophotometry, Ultraviolet; D017550:Spectroscopy, Fourier Transform Infrared; D055672:Static Electricity; D013818:Thermogravimetry
chemical_list: C000593165:3-carboxyl anilinium p-toluene sulfonate; D000814:Aniline Compounds; D001557:Benzenesulfonates; C029501:4-toluenesulfonic acid
keywords: Crystal growth; Hydrogen bonding complex; Nonlinear optical material; X-ray diffraction