Conformational and isomerizational studies of 3-N,N-dimethylhydrazino-2-acetyl propenenitrile using X-ray analysis, NMR and vibrational spectra, and ab initio calculations

Journal of Molecular Structure

Volumn 938, Issue 1-3, 2009, Pages 97-110

  Grof M ^a   Gatial, A ^a   Milata, V ^a   Pronayova N ^a   Kozisek J ^a   Breza, M ^a   Matejka P ^b  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^b INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

Author keywords

Ab initio calculations; Conformational analysis; Push pull enamines; Solvent effect calculations; Vibrational and NMR spectra

Indexed keywords

AB INITIO CALCULATIONS; CONFORMATIONAL ANALYSIS; ENAMINES; NMR SPECTRUM; SOLVENT EFFECT CALCULATIONS; SOLVENT EFFECTS;

AMINES; CALCULATIONS; FLUORINE CONTAINING POLYMERS; HYDROGEN BONDS; ISOMERS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLVENTS;

X RAY ANALYSIS;

EID: 70449722822     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.09.007     Document Type: Article

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