A clear correlation between the diradical character of 1,3-dipoles and their reactivity toward ethylene or acetylene

Journal of the American Chemical Society

Volumn 132, Issue 22, 2010, Pages 7631-7637

  Braida, Benoit ^a   Walter, Christof ^b   Engels, Bernd ^b   Hiberty, Philippe C ^c  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b Institut für Organische Chemie   (Germany)

^c UNIVERSITÉ PARIS SUD   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BETAINES; ETHYLENE; GEOMETRY; GROUND STATE; LIGHTING; WAVE FUNCTIONS;

1 ,3-DIPOLARCYCLOADDITION; BREATHING ORBITAL VALENCE BONDS; CORRELATION COEFFICIENT; DISTORTED GEOMETRY; EQUILIBRIUM GEOMETRIES; LINEAR COMBINATIONS; LINEAR RELATIONSHIPS; TRANSITION ENERGY;

ACETYLENE;

1,3 DIPOLE; ACETYLENE; BETAINE DERIVATIVE; ETHYLENE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CYCLOADDITION; MATHEMATICAL MODEL;

EID: 77953109863     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja100512d     Document Type: Article

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