Vibrational analysis and molecular structure of the hydrogen polyoxides, H2O3, H2O4, D2O3, and D2O4

1974 ◽  
Vol 60 (1) ◽  
pp. 270-273 ◽  
Author(s):  
José L. Arnau ◽  
Paul A. Giguère
Keyword(s):  
Molecular Structure ◽  
Vibrational Analysis ◽  
Hydrogen Polyoxides

IR and UV Absorption Cross Sections, Vibrational Analysis, and the Molecular Structure of Trifluoromethyl Peroxynitrate, CF3OONO2

1998 ◽  
Vol 37 (24) ◽  
pp. 6208-6213 ◽  
Author(s):  
Rodion Kopitzky ◽  
Helge Willner ◽  
Hans-Georg Mack ◽  
Angelika Pfeiffer ◽  
Heinz Oberhammer
Keyword(s):  
Molecular Structure ◽  
Cross Sections ◽  
Vibrational Analysis ◽  
Uv Absorption ◽  
Absorption Cross

Molecular structure and vibrational analysis on (E)-1-(3-methyl-2,6-diphenyl piperidin-4-ylidene) semicarbazide

2014 ◽  
Vol 1058 ◽  
pp. 41-50 ◽  
Author(s):  
A. Dhandapani ◽  
S. Manivarman ◽  
S. Subashchandrabose ◽  
H. Saleem
Keyword(s):  
Molecular Structure ◽  
Vibrational Analysis

scholarly journals Molecular Structure and Quantum Chemical Calculations of 2, 4-difluoroanisole

2020 ◽  
Vol 8 (4S4) ◽  
pp. 125-130
Keyword(s):  
Molecular Structure ◽  
Quantum Chemical ◽  
Chemical Shifts ◽  
Vibrational Analysis ◽  
1H And 13C Nmr ◽  
Chemical Studies ◽  
Quantum Chemical Studies ◽  
Homo Lumo ◽  
Orbital Analysis ◽  
Ft Raman

FTIR / FT-Raman spectra in the regions 4000-400 cm-1 /3500-50 cm-1 are utilized for studying the molecular vibrations of 2,4-difluoroanisole (DFA). The optimized molecular structure and vibrational analysis of the DFA were estimated with the experimental as well as quantum chemical studies from ab initio and DFT calculations. The chemical shifts of 1H and 13C NMR were calculated. In addition, the thermodynamic and important electronic properties like HOMO-LUMO, NPA charge analyses have been examined. With the aid of NBO (Natural Bond Orbital) analysis, inter and intra molecular interactions are also illustrated.

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