Vibrational assignment and structure of trifluorobenzoylacetone. A density functional theoretical study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 66, Issue 3, 2007, Pages 626-636

  Tayyari, Sayyed Faramarz ^a   Vakili, Mohammad ^a   Nekoei, Abdo Reza ^a   Rahemi, Hedayat ^b   Wang, Yan Alexander ^c  

^a FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

^b URMIA UNIVERSITY   (Iran)

^c UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

Density Functional Theory; Intramolecular hydrogen bond; NBO; Trifluorobenzoylacetone; Vibrational spectra

Indexed keywords

ENERGY DIFFERENCE; MOLECULAR STABILITY; NATURAL BOND ORBITAL (NBO); VIBRATIONAL SPECTRA;

BOND STRENGTH (CHEMICAL); HYDROGEN BONDS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NATURAL FREQUENCIES; PROBABILITY DENSITY FUNCTION; SPECTRUM ANALYSIS;

KETONES;

ACETYLACETONE; ALKANONE; BENZOYLACETONE; FLUORINATED HYDROCARBON; TRIFLUOROBENZOYLACETONE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTRICITY; ELECTRON; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; RAMAN SPECTROMETRY; VIBRATION;

BUTANONES; ELECTRONS; ELECTROSTATICS; HYDROCARBONS, FLUORINATED; HYDROGEN BONDING; MODELS, CHEMICAL; PENTANONES; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 33846656961     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.04.002     Document Type: Article

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