Reactivity and regioselectivity in 1,3-dipolar cycloadditions of azides to strained alkynes and alkenes: A computational study

Journal of the American Chemical Society

Volumn 131, Issue 23, 2009, Pages 8121-8133

  Schoenebeck, Franziska ^a   Ess, Daniel H ^a   Jones, Gavin O ^a   Houk, K N ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; B3LYP DENSITY FUNCTIONAL; COMPUTATIONAL STUDIES; CYCLOADDITION TRANSITION; CYCLOADDITIONS; CYCLOALKENES; CYCLOALKYNES; DIPOLAR CYCLOADDITIONS; DIPOLAROPHILES; DISTORTION ENERGY; FLUORINE SUBSTITUTION; GASPHASE; INTERACTION ENERGIES; PHENYL AZIDE; REGIOCHEMISTRY; RING SIZES; SPIN COMPONENTS; TRANSITION STATE; TRANSITION STATE ENERGIES; TRANSITION STATE GEOMETRY;

ACETYLENE; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; FLUORINE; NITROGEN COMPOUNDS; OLEFINS; ORGANIC POLYMERS; REGIOSELECTIVITY;

ACTIVATION ENERGY;

ALKENE; ALKYNE; AZIDE; CYCLOALKENE; FLUORINE; TRINITROPHENYL;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; ENERGY; GAS; GEOMETRY; PREDICTION; SOLVATION; SUBSTITUTION REACTION; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CYCLIZATION;

ALKENES; ALKYNES; AZIDES; COMPUTER SIMULATION; CYCLIZATION; MODELS, CHEMICAL;

EID: 67650558411     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9003624     Document Type: Article

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