Growth and characterization of a nonlinear optical crystal: l-histidine trifluoroacetate

A novel organic nonlinear optical crystal, l-histidine trifluoroacetate (LHTF), has been prepared, and single crystals had been grown by the controlled evaporation of the aqueous solution. Its solubility curve was determined gravimetrically. The structural, physicochemical properties of the grown cr...

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Veröffentlicht in:	Journal of crystal growth 2009-07, Vol.311 (15), p.3904-3910
Hauptverfasser:	Sun, G.H., Sun, X.T., Sun, Z.H., Wang, X.Q., Liu, X.J., Zhang, G.H., Xu, D.
Format:	Artikel
Sprache:	eng
Schlagworte:	A1. Characterization A1. Solubility A2. Growth from solutions B1. Nonlinear optic materials Condensed matter: electronic structure, electrical, magnetic, and optical properties Cross-disciplinary physics: materials science rheology Crystal growth Crystals Density functional theory Diffraction Electron states Exact sciences and technology Fundamental areas of phenomenology (including applications) Growth from vapor Infrared spectroscopy Materials science Methods of crystal growth physics of crystal growth Methods of electronic structure calculations Nonlinear optical crystals Nonlinearity Optical materials Optical properties Optics Physics Solubility Theory and models of crystal growth physics of crystal growth, crystal morphology and orientation Trifluoroacetates
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Beschreibung
Zusammenfassung:	A novel organic nonlinear optical crystal, l-histidine trifluoroacetate (LHTF), has been prepared, and single crystals had been grown by the controlled evaporation of the aqueous solution. Its solubility curve was determined gravimetrically. The structural, physicochemical properties of the grown crystals were characterized by X-ray powder diffraction, infrared spectroscopy and thermal analysis. Density functional theory at the B3LYP/6-31G (d, p) level had been used to compute the first-order hyperpolarizability of LHTF. The optical transmission spectrum and second-harmonic generation were investigated to study its linear and nonlinear optical properties.
ISSN:	0022-0248 1873-5002
DOI:	10.1016/j.jcrysgro.2009.06.022