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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