1,3-Dipolar cycloaddition of nitrile oxides to free and Pt-bound nitriles: A theoretical study of the activation effect, reactivity and mechanism

Inorganica Chimica Acta

Volumn 356, Issue , 2003, Pages 85-94

  Kuznetsov, Maxim L ^a,b   Kukushkin, Vadim Yu ^c   Haukka, Matti ^d   Pombeiro, Armando J L ^a  

^a INSTITUTO SUPERIOR TÉCNICO   (Portugal)

^b MOSCOW STATE PEDAGOGICAL UNIVERSITY   (Russian Federation)

^c ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^d UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

1,3 Dipolar cycloaddition; DFT calculations; Nitriles; Reactivity; Transition metal complexes

Indexed keywords

ATOMS; CHEMICAL ACTIVATION; CYANIDES; METAL COMPLEXES; NITROGEN OXIDES; REACTIVITY (NUCLEAR); TRANSITION METALS;

1 ,3-DIPOLARCYCLOADDITION; ACTIVATION PARAMETER; DFT CALCULATION; GEOMETRY OPTIMIZATION; INTRINSIC REACTION COORDINATE CALCULATIONS; KINETICALLY CONTROLLED; NITRILES; RELATIVE REACTIVITIES;

PLATINUM COMPOUNDS;

NITRILE; OXIDE; PLATINUM;

ARTICLE; ATOM; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION KINETICS; CYCLOADDITION; ENERGY; ENTROPY; GEOMETRY; MOLECULAR INTERACTION; MOLECULAR MECHANICS; PHASE TRANSITION; THERMODYNAMICS;

EID: 1042299769     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0020-1693(03)00269-X     Document Type: Article

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