Decasilahexahydrotriquinacene and Decasilaisotwistane: σ Conjugation on a Bowl Surface.

Akihiro TsurusakiYu KoyamaSoichiro Kyushin

Published in: Journal of the American Chemical Society (2017)

The first bowl-shaped oligosilane, hexadecamethyldecasilahexahydrotriquinacene (1), and a related oligosilane, hexadecamethyldecasilaisotwistane (2), were synthesized, and their structures and properties were studied. The results revealed importance of σ conjugation on a bowl surface: the HOMOs of 1 are σ orbitals delocalized on the bowl surface, whereas the LUMO is a pseudo π* orbital on the convex and concave sides of the bowl surface.

Keyphrases

high resolution
single cell
density functional theory
mass spectrometry
molecular dynamics