Identity SN2 reactions X- + CH 3X → XCH3+X- (X = F, Cl, Br, and I) in vacuum and in aqueous solution: A valence bond study

Chemistry - A European Journal

Volumn 12, Issue 28, 2006, Pages 7458-7466

  Song, Lingchun ^a   Wu, Wei ^a   Hiberty, Philippe C ^b   Shaik, Sason ^c  

^a XIAMEN UNIVERSITY   (China)

^b UNIVERSITÉ PARIS SUD   (France)

^c HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Ab initio calculations; Sn2 reactions; Solvent effects; Valence bond theory

Indexed keywords

CHEMICAL ANALYSIS; CHEMICAL BONDS; ORGANIC SOLVENTS; PARAMETER ESTIMATION; SOLUTIONS; VACUUM;

AB INITIO CALCULATIONS; SN2 REACTIONS; SOLVENT EFFECTS; VALENCE BOND THEORY;

REACTION KINETICS;

BROMINATED HYDROCARBON; FLUORINATED HYDROCARBON; FLUOROMETHANE; HALOGEN; HALOGENATED HYDROCARBON; IODINATED HYDROCARBON; METHYL BROMIDE; METHYL CHLORIDE; METHYL IODIDE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; SOLUTION AND SOLUBILITY; VACUUM;

COMPUTER SIMULATION; HALOGENS; HYDROCARBONS, BROMINATED; HYDROCARBONS, FLUORINATED; HYDROCARBONS, HALOGENATED; HYDROCARBONS, IODINATED; METHYL CHLORIDE; MODELS, CHEMICAL; SOLUTIONS; VACUUM; WATER;

EID: 84962419748     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200600372     Document Type: Article

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