File:Butadiene-pi-MOs-Spartan-3D-balls.png

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Description

Energy level diagram of the π molecular orbitals of butadiene (forced to adopt a planar cis conformation, for the purposes of discussing cycloadditions).

Structures calculated and images produced using HF/6-31G* in Spartan '04 Student Edition and ChemDraw Ultra 11.0.

Energy of orbitals:

π4: +7.71713 eV
π3: +3.16186 eV (LUMO)
π2: −8.66624 eV (HOMO)

π1: −12.10962 eV
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Author Ben Mills
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Public domain This work has been released into the public domain by its author, Benjah-bmm27. This applies worldwide.

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current21:04, 26 January 2009Thumbnail for version as of 21:04, 26 January 20091,949 × 2,200 (686 KB)Benjah-bmm27{{Information |Description = Energy level diagram of the π molecular orbitals of butadiene (forced to adopt a planar ''cis'' conformation, for the purposes of discussing cycloadditions). Structures calculated and images produced using HF/6-31G* in [http
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