Experimental and theoretical studies on physicochemical properties of L-leucine nitrate a probable nonlinear optical material

被引：19

作者：

Adhikari, Soma ^{[1
]}

Kar, Tanusree ^{[1
]}

机构：

[1] Indian Assoc Cultivat Sci, Dept Mat Sci, Kolkata 700032, India

来源：

JOURNAL OF CRYSTAL GROWTH | 2012年 / 356卷

关键词：

Crystal Morphology; Characterization; X-ray diffraction; Growth from solutions; Single crystal growth; CRYSTAL; GROWTH;

D O I：

10.1016/j.jcrysgro.2012.07.008

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

An amino acid salt L-leucine nitrate (LN) has been synthesized and single crystals were grown by the controlled evaporation of the aqueous solution at constant temperature (30 +/- 0.01) degrees C. The structural and physicochemical properties of the grown crystals were characterized by X-ray powder diffraction and thermal analysis. The optical transmission spectra and second harmonic generation (SHG) were investigated to study its linear and nonlinear optical properties. SHG efficiency is comparable to that of KDP. The dipole moment, polarizability, first order hyperpolarizability and the HOMO-LUMO energy gap of LN were calculated at the framework of Hartree-Fock (HF) and density functional theory (DFT) to confirm the suitability of the crystal for nonlinear optical applications. First hyperpolarizability was found to be 9.4 times of that of urea. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：4 / 9

页数：6

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