ブタヂエンの共鳴エネルギーと束縛廻轉

概要

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In many aliphatic compounds which have the conjugated double bonds such as butadiene, glyoxal and oxalyl-chloride, the potential energies of the hindered rotation about the single bonds are remarkably influenced by the quantum mechanical resonance In older to estimate the contribution of the 2pπ-electrons to the hindered Potential, the energy levels of cis- and trans-butadiene were calculated. In the lowest state the enerey of cis- and trans-forms are 4W_<2p>-48. 23.e.v. and 4W_<2p>-48. 10 e. v. respectively, and the energy of internuculear repulsion of cis-form is sbout o. 79 e, v. higher than the trans- form, and therefore the trans- form of butadiene is about o. 66e. V. more stable. The hindered Poteatial about- the single bond was also discussed. (Received March 7, 1951)
宇宙航空研究開発機構の論文
1951-08-20