Spectroscopic And Thermodynamic Properties Of L-Ornithine Monohydrochloride

被引：1
|
作者：
Raja, M. Dinesh [1 ]
Kumar, C. Maria Ashok [2 ]
Arulmozhi, S. [2 ]
Madhavan, J. [2 ]
机构：
[1] Bharath Univ, Dept Phys, Madras 600073, Tamil Nadu, India
[2] Loyola Coll, Dept Phys, Madras 600034, Tamil Nadu, India
来源：
PROCEEDINGS OF THE 59TH DAE SOLID STATE PHYSICS SYMPOSIUM 2014 (SOLID STATE PHYSICS) | 2015年 / 1665卷
关键词：
LOMHCL; DFT; SHG;
D O I：
10.1063/1.4917843
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
L-Ornithine Monohydrochloride (LOMHCL) has been investigated with the help of B3LYP density functional theory with 6-31 G (d, p) basis set. Fourier transform infrared and Fourier transform Raman spectra is to identify the various functional groups. The theoretical frequencies showed very good agreement with experimental values. On the basis of the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between standard heat capacities (C) standard entropies (S), and standard enthalpy changes (H) and temperatures. Second harmonic generation (SHG) efficiency of the grown crystal has been studied.
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页数：2
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