Spectrometric studies and theoretical calculations of some β-ketonitriles

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 77, Issue 2, 2010, Pages 485-496

  Ruiz, Danila ^a   Giussi, Juan ^a   Albesa, Alberto ^b   Schiavoni, Mercedes ^a   Furlong, Jorge ^a   Allegretti, Patricia ^a  

^a UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

^b INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

Author keywords

Ketonitriles; Mass spectrometry; Tautomerization; Theoretical calculations

Indexed keywords

ABUNDANCE RATIOS; BIFUNCTIONAL COMPOUNDS; GASPHASE; GOOD CORRELATIONS; KETENIMINES; MASS SPECTRA; MP2/6-31G; PREDICTIVE VALUES; TAUTOMERIC EQUILIBRIA; TAUTOMERIZATION; TAUTOMERIZATIONS; THEORETICAL CALCULATIONS;

COMPLEXATION; CYANIDES; ISOMERS; MASS SPECTROMETERS; PHASE EQUILIBRIA;

MASS SPECTROMETRY;

NITRILE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MASS FRAGMENTOGRAPHY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; STEREOISOMERISM; SYNTHESIS; THEORETICAL MODEL;

GAS CHROMATOGRAPHY-MASS SPECTROMETRY; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, THEORETICAL; MOLECULAR STRUCTURE; NITRILES; STEREOISOMERISM;

EID: 77955415090     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.06.025     Document Type: Article

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