Ab initio study of the SN1Ar and SN2Ar reactions of benzenediazonium ion with water. On the conception of "unimolecular dediazoniation" in solvolysis reactions

Journal of the American Chemical Society

Volumn 126, Issue 34, 2004, Pages 10632-10639

  Wu, Zhengyu ^a   Glaser, Rainer ^a  

^a UNIVERSITY OF MISSOURI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; GIBBS FREE ENERGY; NITROGEN; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; SOLVENTS; WATER;

ELECTRONIC RELAXATION; NUCLEOPHILIC SUBSTITUTION; TRANSITION STATE STRUCTURE; UNIMOLECULAR DEDIAZONIATIONS; UNIMOLECULAR PROCESS;

AROMATIC COMPOUNDS;

BENZENE DERIVATIVE; BENZENEDIAZONIUM; CATION; PHENOL; PHENYL GROUP; SOLVENT; UNCLASSIFIED DRUG; WATER;

AB INITIO CALCULATION; ADDITION REACTION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL MODEL; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; DISSOCIATION; DYNAMICS; ELIMINATION REACTION; ENERGY; ENTHALPY; PROTON TRANSPORT; REACTION ANALYSIS; SOLVENT EFFECT; SOLVOLYSIS; STRUCTURE ANALYSIS; SUBSTITUTION REACTION; TECHNIQUE; UNIMOLECULAR DEDIAZONIATION;

CATIONS; DIAZONIUM COMPOUNDS; HYDROLYSIS; MODELS, MOLECULAR; SOLUTIONS; THERMODYNAMICS; WATER;

EID: 4344705437     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja047620a     Document Type: Article

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