Ab initio study of the structure of enolic and ketonic forms of β-diketones with the general formula R″COCH2COR′ (R′ and R″ = H, CH3, CF3)

Journal of Structural Chemistry

Volumn 47, Issue 2, 2006, Pages 220-231

  Sliznev, V V ^a   Lapshina, S B ^a   Girichev, G V ^a  

^a IVANOVO STATE UNIVERSITY OF CHEMISTRY AND TECHNOLOGY   (Russian Federation)

Author keywords

diketones; Conformers; Enol; Intramolecular hydrogen bond; Ketone; Potential function; Quantum chemical computations; Structure; Vibration analysis

Indexed keywords

EID: 33750377975     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10947-006-0290-z     Document Type: Article

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