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Title: Spectroscopic and thermodynamic properties of L-ornithine monohydrochloride

Abstract

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.

Authors:
 [1]; ; ;  [2]
  1. Department of Physics, Bharath University, Chennai – 600073 (India)
  2. Department of Physics, Loyola College, Chennai – 600034 (India)
Publication Date:
OSTI Identifier:
22490351
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CHLORIDES; CORRELATIONS; CRYSTALS; DENSITY FUNCTIONAL METHOD; EFFICIENCY; ENTHALPY; ENTROPY; FOURIER TRANSFORMATION; HARMONIC GENERATION; INFRARED SPECTRA; ORNITHINE; RAMAN SPECTRA; RAMAN SPECTROSCOPY; SPECIFIC HEAT; TEMPERATURE DEPENDENCE

Citation Formats

Raja, M. Dinesh, Kumar, C. Maria Ashok, Arulmozhi, S., and Madhavan, J., E-mail: jmadhavang@yahoo.com. Spectroscopic and thermodynamic properties of L-ornithine monohydrochloride. United States: N. p., 2015. Web. doi:10.1063/1.4917843.
Raja, M. Dinesh, Kumar, C. Maria Ashok, Arulmozhi, S., & Madhavan, J., E-mail: jmadhavang@yahoo.com. Spectroscopic and thermodynamic properties of L-ornithine monohydrochloride. United States. doi:10.1063/1.4917843.
Raja, M. Dinesh, Kumar, C. Maria Ashok, Arulmozhi, S., and Madhavan, J., E-mail: jmadhavang@yahoo.com. Wed . "Spectroscopic and thermodynamic properties of L-ornithine monohydrochloride". United States. doi:10.1063/1.4917843.
@article{osti_22490351,
title = {Spectroscopic and thermodynamic properties of L-ornithine monohydrochloride},
author = {Raja, M. Dinesh and Kumar, C. Maria Ashok and Arulmozhi, S. and Madhavan, J., E-mail: jmadhavang@yahoo.com},
abstractNote = {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.},
doi = {10.1063/1.4917843},
journal = {AIP Conference Proceedings},
number = 1,
volume = 1665,
place = {United States},
year = {Wed Jun 24 00:00:00 EDT 2015},
month = {Wed Jun 24 00:00:00 EDT 2015}
}