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Rep:Mod:awc106 module part2

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The Diels Alder Cycloaddition

A molecule of cis-butadiene was drawn in Gaussview, and optimised using the AM1 semi-empirical molecular orbital method. After completion, the molecular orbitals were available:


Table 1: Molecular Orbitals of Cis-Butadiene

Molecular Orbital Image Symmetry with

Respect to Plane

HOMO
LUMO


https://www.ch.ic.ac.uk/wiki/images/8/87/CIS_BUTADIENE_OPT.LOG