A critical evaluation of the s-cis-trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 116, Issue , 2013, Pages 196-203

  Ducati, Lucas C ^a   Braga, Carolyne B ^b   Rittner, Roberto ^b   Tormena, Cláudio F ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Conformational analysis; Infrared spectroscopy; NMR spectroscopy; Pyrrole derivatives; S cis trans isomerism; Theoretical calculations

Indexed keywords

ACETONE; HYDROGEN BONDS; INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLVENTS; SPECTRUM ANALYSIS; STEREOCHEMISTRY; TEMPERATURE;

CIS-TRANS ISOMERISM; CONFORMATIONAL ANALYSIS; CONFORMATIONAL EQUILIBRIUM; CRITICAL EVALUATION; INTERMOLECULAR HYDROGEN BONDS; METHYL DERIVATIVES; PYRROLE DERIVATIVES; THEORETICAL CALCULATIONS;

ISOMERS;

2 ACETYLPYRROLE; 2-ACETYLPYRROLE; PYRROLE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATIONAL ANALYSIS; INFRARED SPECTROPHOTOMETRY; INFRARED SPECTROSCOPY; ISOMERISM; METHYLATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PYRROLE DERIVATIVES; S-CIS-TRANS ISOMERISM; THEORETICAL CALCULATIONS;

CONFORMATIONAL ANALYSIS; INFRARED SPECTROSCOPY; NMR SPECTROSCOPY; PYRROLE DERIVATIVES; S-CIS-TRANS ISOMERISM; THEORETICAL CALCULATIONS;

ISOMERISM; MAGNETIC RESONANCE SPECTROSCOPY; METHYLATION; MODELS, MOLECULAR; PYRROLES; SPECTROPHOTOMETRY, INFRARED;

EID: 84881140944     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.07.024     Document Type: Article

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