title: Growth, spectroscopy properties and DFT based PCM calculations of guanidinium chlorochromate.
abstract: Nonlinear optical single crystals of guanidinium chlorochromate [GCC] are grown by slow evaporation solution growth technique using water as the solvent. Purity of crystals is increased by the method of recrystallization. The solubility of the material is measured at various temperatures in de-ionized water. The grown crystals are characterized by single crystal XRD for obtaining unit cell parameters. The presence of functional groups and modes of vibrations are identified by FT-IR spectroscopy. The chemical structure of crystal is established by FT-NMR techniques. The UV-vis-NIR spectrum of GCC shows less absorption and good transmittance in the entire visible region enabling its use in optical application. Also, the Kurtz powder second harmonic generation test shows that the compound is a potential material for optical second harmonic generation. The theoretical vibration frequency of HC(NH2)3 and [C(NH2)3]2 are analyzed in different solvent media.
authors.affiliation: Post Graduate & Research Department of Physics, Pachaiyappa's College, Chennai 600 030, India.
authors.forename: A
authors.initials: A
authors.lastname: Suvitha
authors.forename: V
authors.initials: V
authors.lastname: Sathyanarayanamoorthi
authors.forename: P
authors.initials: P
authors.lastname: Murugakoothan
mesh_terms: D002840:Chromates / Q000737:chemistry*; D003460:Crystallization; D018360:Crystallography, X-Ray; D019791:Guanidine / Q000031:analogs & derivatives*; D054879:Halogenation; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D002840:Chromates; D019791:Guanidine