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Dynamics of 1,3-dipolar cycloaddition reactions of diazonium betaines to acetylene and ethylene: bending vibrations facilitate reaction.

Research paper by Lai L Xu, Charles E CE Doubleday, K N KN Houk

Indexed on: 24 Feb '09Published on: 24 Feb '09Published in: Angewandte Chemie International Edition



Abstract

Getting the bends: The dynamics of 1,3-dipolar cycloaddition reactions have been explored by decomposing transition vector, quasi-classical trajectories, and single trajectories. Dipole bending (see picture) makes the largest contribution to the TS distortion energy and constitutes the major part of transition-state distortion energy in the favored concerted pathway.