Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 2-Methylpyrazine

Author(s):  
V. Krishnakumar ◽  
N. Prabavathi
2012 ◽  
Vol 584 ◽  
pp. 136-140 ◽  
Author(s):  
S. Janarthanan ◽  
Y.C. Rajan ◽  
R. Sugaraj Samuel ◽  
S. Pandi

ABSTRACT Organic single crystal of Phthalic Anhydride (PA) was successfully grown by slow evaporation method. The structure of the grown crystal was confirmed by X-ray diffraction analysis. FT-IR, and FT-Raman spectral analysis of the crystalline samples reveal that the crystalline sample consists of all functional groups. The placement of protons was identified from H1-NMR spectral analysis. UV-Visible and photoluminescence spectral analyses were carried out for the grown crystals. The thermal behavior was studied with TGA-DTA analyses. The existence of second harmonic generation (SHG) signal was observed using Nd:YAG laser with a fundamental wavelength of 1064 nm. Keywords: Organic crystals, NLO crystals


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