Experimental and DFT studies on the vibrational and electronic spectra of 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 83, Issue 1, 2011, Pages 112-119

  Zhang, Yu ^a   Zhou, Hu ^a   Jiang, Zhengjing ^a   Li, Rongqing ^a  

^a HUAIYIN NORMAL UNIVERSITY   (China)

Author keywords

4,5 Dihydro 6 methyl 4 (E) (3 pyridinylmethylene)amino 1,2,4 triazin 3(2H) one; Density functional theory (DFT); Electronic spectra; Vibrational spectra

Indexed keywords

4,5-DIHYDRO-6-METHYL-4-[(E)-(3-PYRIDINYLMETHYLENE)AMINO]-1,2,4-TRIAZIN-3(2H)-ONE; AB INITIO; BASIS SETS; DFT METHOD; DFT STUDY; ELECTRONIC SPECTRUM; ELECTROPHILIC ATTACK; GASPHASE; GEOMETRICAL STRUCTURE; HARMONIC VIBRATIONAL FREQUENCIES; NUCLEOPHILIC ATTACK; PYMETROZINE; SPECTRAL MEASUREMENT; TD-B3LYP; VIBRATIONAL AND ELECTRONIC SPECTRA;

ABSORPTION SPECTROSCOPY; CALCULATIONS;

DENSITY FUNCTIONAL THEORY;

PYMETROZINE; TRIAZINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; ULTRAVIOLET SPECTROPHOTOMETRY;

MODELS, MOLECULAR; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; TRIAZINES;

EID: 80054036168     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.07.091     Document Type: Article

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