Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 79, Issue 5, 2011, Pages 1071-1076

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

^a UNIVERSITY OF CAMPINAS   (Brazil)

^b STATE UNIVERSITY OF PONTA GROSSA   (Brazil)

Author keywords

Conformational analysis; Infrared spectroscopy; s cis trans isomerism; Theoretical calculations; Thiophene derivatives

Indexed keywords

CIS-TRANS; CONFORMATIONAL ANALYSIS; CONFORMATIONAL PREFERENCES; GASPHASE; INFRARED DATA; INTEGRAL EQUATION FORMALISMS; INTERCONVERSIONS; LOW TEMPERATURES; NMR SPECTRUM; POLARIZABLE CONTINUUM MODEL; S-CIS-TRANS ISOMERISM; SOLVENT EFFECTS; THEORETICAL CALCULATIONS; THIOPHENE DERIVATIVES; ZERO-POINT ENERGY CORRECTION;

ACETONE; CONTINUUM MECHANICS; INFRARED SPECTROSCOPY; INTEGRAL EQUATIONS; ISOMERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLVENTS; STEREOCHEMISTRY; THIOPHENE;

ABSORPTION SPECTROSCOPY;

2 ACETYLTHIOPHENE; 2-ACETYLTHIOPHENE; SOLVENT; THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; THEORETICAL MODEL;

MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; SOLVENTS; SPECTROPHOTOMETRY, INFRARED; THIOPHENES;

EID: 79960233432     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.04.021     Document Type: Article

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