Conformation and vibrational spectra and assignment of 2-thenoyltrifluoroacetone

Journal of Molecular Structure

Volumn 932, Issue 1-3, 2009, Pages 112-122

  Nekoei, Abdo Reza ^a   Tayyari, Sayyed Faramarz ^b   Vakili, Mohammad ^c   Holakoei, Soheila ^d   Hamidian, Amir Hossein ^e   Sammelson, Robert Erik ^f  

^a SHIRAZ UNIVERSITY OF TECHNOLOGY   (Iran)

^b FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

^c DAMGHAN UNIVERSITY   (Iran)

^d ISLAMIC AZAD UNIVERSITY   (Iran)

^e UNIVERSITY OF OTAGO   (New Zealand)

^f BALL STATE UNIVERSITY   (United States)

Author keywords

Diketone; 2 Thenoyltrifluoroacetone; Conformational analysis; Solvent effect; Vibrational assignment

Indexed keywords

2-THENOYLTRIFLUOROACETONE; BASIS SETS; CONFORMATIONAL ANALYSIS; CONFORMATIONAL STABILITIES; DEUTERATED ANALOGUE; DFT CALCULATION; ENERGY DIFFERENCES; GASPHASE; HARMONIC VIBRATIONAL FREQUENCIES; HYDROGEN BRIDGES; IR AND RAMAN SPECTRA; ONSAGER; REACTION FIELDS; SOLVENT EFFECT; SOLVENT EFFECTS; SOLVENT MEDIA; STABLE CONFORMERS; THIENYL; VIBRATIONAL ASSIGNMENT; VIBRATIONAL SPECTRA AND ASSIGNMENTS;

AROMATIC HYDROCARBONS; BUTANE; CONFORMATIONS; DEUTERIUM; HYDROGEN; LIQUEFIED PETROLEUM GAS; RAMAN SPECTROSCOPY; SULFUR COMPOUNDS; VIBRATIONAL SPECTROSCOPY;

SOLVENTS;

TRIFLUORO;

EID: 67650489716     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.05.045     Document Type: Article

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