Structure and reactivity of cycloimmonium ylides. Theoretical study in triazolium ylides by AM1, PM3 and DFT procedure methods

Journal of Molecular Structure

Volumn 645, Issue 1, 2003, Pages 29-36

  Surpateanu, Georgiana G ^a   Delattre, François ^b   Woisel, Patrice ^b   Vergoten, Gérard ^c   Surpateanu, Gheorghe ^b  

^a ALEXANDRU IOAN CUZA UNIVERSITY OF IASI   (Romania)

^b UNIVERSITÉ DU LITTORAL CÔTE D OPALE   (France)

^c UNIV LILLE   (France)

Author keywords

AM1; Cycloimmonium ylides; DFT; PM3; Reactivity; Structure; Triazolium methylides

Indexed keywords

1 ETHOXYCARBONYLMETHYL 1,2,4 TRIAZOL 1 IUM 4' NITROBENZOYL 2'',4'',6'' TRINITROPHENYL METHYLIDE; 4 PHENYLBENZOYL 1,2,4 TRIAZOL 1 IUM METHYLIDE; 4 PHENYLDIBENZOYL 1,2,4 TRIAZOL 1 IUM METHYLIDE; AMMONIUM DERIVATIVE; AZO COMPOUND; CYCLOIMMONIUM YLIDE; SOLVENT; TRIAZOLE DERIVATIVE; TRIAZOLIUM YLIDE; TRINITROPHENYL; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; CYCLOADDITION; DENSITY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; REACTION ANALYSIS; ROTATION; THEORY;

EID: 0037439127     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(02)00488-X     Document Type: Article

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