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I am aware that there are 2 well-known conformations of 1,3-butadiene which is s-cis and s-trans conformation.

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The s-trans conformation is clearly more stable than the s-cis conformation whose interaction of two hydrogens destabilizes. Based on the picture in Shira's question, the energy difference of the HOMO and LUMO in s-cis is lower than s-trans (calculated via wavelength). Why is that so? Could it be the contribution of the mentioned hydrogen interaction?

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  • $\begingroup$ chemistry.stackexchange.com/questions/44053/… $\endgroup$
    – Mithoron
    Commented Mar 6 at 16:04
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    $\begingroup$ Much thanks for your suggestion, but I don't think think that I have the answer for the question $\endgroup$
    – user139387
    Commented Mar 6 at 16:33

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