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Crystal structure and vibrational analysis of novel nonlinear optical L‐histidinium tetrafluoroborate (L‐HFB) single crystals
Author(s) -
Gokul Raj S.,
Ramesh Kumar G.,
Mohan R.,
Jayavel R.,
Varghese Babu
Publication year - 2007
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200642439
Subject(s) - tetrafluoroborate , raman spectroscopy , single crystal , crystallography , evaporation , crystal (programming language) , crystal structure , hydrogen bond , chemistry , aqueous solution , infrared , infrared spectroscopy , second harmonic generation , materials science , molecule , optics , physics , organic chemistry , laser , programming language , ionic liquid , computer science , thermodynamics , catalysis
Abstract Single crystals of L‐histidinium tetrafluoroborate (L‐HFB) were grown by slow evaporation of an aqueous solution at room temperature. The crystal structure has been elucidated through single crystal X‐ray crystallography. The infrared (IR) and Raman spectroscopic measurements fully confirm the X‐ray crystal structure. The potential role of hydrogen bonds of the title crystal and its influence on interaction between the L‐histidinium cation and tetrafluoroborate anion has been discussed in detail. The crystal is a very good second harmonic generator. Its powder SHG efficiency is calculated as d eff = 1.70 d eff (KDP). (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)