Why is the linking C-C bond in tetrahedranyltetrahedrane so short?
[structure: see text]. The block-localized wave function (BLW) method has been employed to probe the origin of the very short linking C-C bond (1.436 A) in tetrahedranyltetrahedrane. Computations show that the vicinal hyperconjugative interactions between the two tetrahedranyl groups is stronger than the conjugation in butadiene, and if there were no hyperconjugation effect, the bond distance would be 1.491 A. Thus, both the hybridization mode and hyperconjugative interactions contribute to the shortening of the central C-C bond in tetrahedranyltetrahedrane.
Mo
Yirong
Y
Department of Chemistry, Western Michigan University, Kalamazoo, Michigan 49008, USA. ymo@wmich.edu
D002070:Butadienes / Q000737:chemistry*; D008956:Models, Chemical; D008968:Molecular Conformation; D014297:Trimethylsilyl Compounds / Q000737:chemistry*
D002070:Butadienes; D014297:Trimethylsilyl Compounds