Molecular structure and vibrational spectra of 3 (or 4 or 6)-methyl-5-nitro-2-pyridinethiones: FT-IR, FT-Raman and DFT quantum chemical calculations

Journal of Raman Spectroscopy

Volumn 39, Issue 7, 2008, Pages 832-841

  Wandas, M ^a   Lorenc, J ^a   Kucharska, E ^a   Maczka M ^b   Hanuza, J ^a,b  

^a WROCLAW UNIVERSITY OF ECONOMICS   (Poland)

^b INSTITUTE OF LOW TEMPERATURE AND STRUCTURE RESEARCH   (Poland)

Author keywords

DFT calculations; IR and Raman spectra; Methyl nitro pyridinethiones; Molecular structure

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; QUANTUM CHEMISTRY; RAMAN SCATTERING;

DENSITY-FUNCTIONAL THEORY CALCULATIONS; DENSITY-FUNCTIONAL-THEORY; FT-RAMAN; IR AND RAMAN SPECTRA; METHYL-NITRO-PYRIDINETHIONE; POLYCRYSTALLINE; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL CALCULATION; THIONE TAUTOMER; THIONES;

MOLECULAR STRUCTURE;

EID: 51549118952     PISSN: 03770486     EISSN: 10974555     Source Type: Journal    
DOI: 10.1002/jrs.1922     Document Type: Article

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