title: Studies on the growth and characterization of a non linear optical crystal: 3 Hydroxy Pyridinium Tartrate Mono Hydrate (3HPTMH).
abstract: Single crystals of 3 Hydroxy Pyridinium Tartrate Mono Hydrate (3HPTMH) was synthesised and successfully grown in mixed solvent of ethanol and water by slow evaporation technique at room temperature. 3HPTMH belongs to the orthorhombic crystal system with space group P212121. The lattice parameters of 3HPTMH are a=7.4597(2)Å, b=8.7012(3)Å, c=17.8786(5)Å, V=1160.47(6)Å(3), obtained by single crystal X ray diffraction studies. Hyperpolarizability and HOMO-LUMO analysis were performed for grown crystal using DFT calculations using Gaussian 03 software. Functional groups were identified by FT-IR studies. The lower cut-off wavelength of the 3HPTMH has been identified by UV-Vis study. The thermal behavior has been studied by thermal gravimetric analysis and differential thermal analysis. The powder second harmonic generation efficiency of 3HPTMH was compared with KDP.
authors.affiliation: Department of Physics, University College of Engineering: Panruti (A Constituent College of Anna University Chennai), Panruti 607 106, India.
authors.forename: J
authors.initials: J
authors.lastname: Balaji
authors.affiliation: Department of Physics, University College of Engineering: Panruti (A Constituent College of Anna University Chennai), Panruti 607 106, India.
authors.forename: S
authors.initials: S
authors.lastname: Prabu
authors.affiliation: Department of Physics, University College of Engineering: Panruti (A Constituent College of Anna University Chennai), Panruti 607 106, India. Electronic address: sril35@gmail.com.
authors.forename: P
authors.initials: P
authors.lastname: Srinivasan
authors.affiliation: CAS in Crystallography and BioPhysics, University of Madras, Chennai 600 025, India.
authors.forename: T
authors.initials: T
authors.lastname: Srinivasan
authors.affiliation: CAS in Crystallography and BioPhysics, University of Madras, Chennai 600 025, India.
authors.forename: D
authors.initials: D
authors.lastname: Velmurugan
mesh_terms: D003460:Crystallization; D018360:Crystallography, X-Ray; D004553:Electric Conductivity; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D017711:Nonlinear Dynamics; D055620:Optical Phenomena; D011725:Pyridines / Q000737:chemistry*; D011789:Quantum Theory; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman; D013644:Tartrates / Q000737:chemistry*; D013818:Thermogravimetry; D014732:Vibration
chemical_list: D011725:Pyridines; D013644:Tartrates; C023500:3-hydroxypyridine; C029768:tartaric acid
keywords: Crystal growth; FTIR; Optical materials; Optical properties; Organic compound; RAMAN