DOI: 10.1039/d5cp04813c ISSN: 1463-9076
Why is the eclipsed form of dimethylacetylene more stable than its staggered form?
Volker Staemmler, Robert FrankeRigid rotation about the linear C–C≡C–C axis from the eclipsed to the staggered conformer leads from a three- to a sixfold modulation of the π-orbital ring. This is connected with a quite large increase of the electronic kinetic energy, but to a very small one of total energy.