title: Non linear optical analyses of hexamine: phenol cocrystals based on hydrogen bonding: a comparative study.
abstract: Fourier-Transform Infrared (FT-IR) spectroscopy supported by Raman spectroscopy has been employed to explain the conventional and unconventional hydrogen bonding present in the 4,4'thiodiphenol: hexamine and 4,4'sulfonyldiphenol: hexamine cocrystals. The possible internal and external vibrational modes are predicted through factor group analysis. Influence of intra molecular charge transfer (ICT) interaction caused by the strong ionic ground state hydrogen bonding between charged species, giving rise to a non centro symmetric structure which is a criterion for second harmonic generation (SHG) efficiency has been discussed. Intense low wave number hydrogen bond vibrations in Raman which arise due to electron-phonon coupling are analyzed. Optical quality of adducts is identified through UV-Vis analysis. The second harmonic generation efficiency of both adducts is determined by Kurtz-Perry method.
authors.affiliation: PG & Research Department of Physics, Sri Paramakalyani College, Alwarkurichi 627412, India.
authors.forename: S
authors.initials: S
authors.lastname: Vijayalakshmi
authors.affiliation: PG & Research Department of Physics, Sri Paramakalyani College, Alwarkurichi 627412, India. Electronic address: mayura_priya2003@yahoo.co.in.
authors.forename: S
authors.initials: S
authors.lastname: Kalyanaraman
mesh_terms: D000892:Anti-Infective Agents, Urinary / Q000737:chemistry*; D003460:Crystallization; D006860:Hydrogen Bonding; D008709:Methenamine / Q000737:chemistry*; D019800:Phenol / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman
chemical_list: D000892:Anti-Infective Agents, Urinary; D019800:Phenol; D008709:Methenamine
keywords: Fourier transform infrared spectroscopy (FTIR); Raman spectroscopy; Second harmonic generation (SHG)