Dual one-centre frontier-orbital interactions in [2 + 2] cycloadditions of ketenes

1 January 1993

journal article
research article
Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications

No. 5,p. 450-452
https://doi.org/10.1039/c39930000450

Abstract

Dual one-centre frontier–orbital interactions are found to control the paths of cycloadditions of ketene to ethylene, methylenimine and formaldehyde by the analysis of the intrinsic reaction coordinates calculated with the MP2/6-31G* basis set.

Keywords

CENTRE FRONTIER
PATHS
COORDINATES
MP2/6
31G
FORMALDEHYDE
METHYLENIMINE
DUAL

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