Scaled quantum chemical calculations and FT-IR, FT-Raman spectral analysis of 2-methyl piperazine

2007 ◽  
Vol 68 (3) ◽  
pp. 833-838 ◽  
Author(s):  
V. Krishnakumar ◽  
S. Seshadri
Keyword(s):  
Spectral Analysis ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Ft Ir ◽  
Raman Spectral ◽  
Raman Spectral Analysis ◽  
Ft Raman

Crystal Growth, Spectral, Thermal and Optical Properties of Phthalic Anhydride (PA) Single Crystal

2012 ◽  
Vol 584 ◽  
pp. 136-140 ◽  
Author(s):  
S. Janarthanan ◽  
Y.C. Rajan ◽  
R. Sugaraj Samuel ◽  
S. Pandi
Keyword(s):  
Spectral Analysis ◽  
Single Crystal ◽  
Phthalic Anhydride ◽  
Second Harmonic ◽  
Organic Crystals ◽  
X Ray Diffraction ◽  
Fundamental Wavelength ◽  
Ft Ir ◽  
Raman Spectral ◽  
Raman Spectral Analysis

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

Vibrational spectroscopic (FT-IR, FT-Raman) and quantum chemical calculations of 1-(5,5-dioxido-10H-phenothiazin-10-yl)ethanone

2014 ◽  
Vol 120 ◽  
pp. 445-455 ◽  
Author(s):  
Manpreet Kaur ◽  
Y. Shyma Mary ◽  
C. Yohannan Panicker ◽  
Hema Tresa Varghese ◽  
H.S. Yathirajan ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Ft Ir ◽  
Ft Raman

Spectroscopic (FT-IR, FT-Raman) investigations and quantum chemical calculations of 4-hydroxy-2-oxo-1,2-dihydroquinoline-7-carboxylic acid

2014 ◽  
Vol 121 ◽  
pp. 404-414 ◽  
Author(s):  
Rajeev T. Ulahannan ◽  
C. Yohannan Panicker ◽  
Hema Tresa Varghese ◽  
C. Van Alsenoy ◽  
Robert Musiol ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Ft Ir ◽  
Ft Raman
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