Abstract
The He(1) PE spectra of the title compounds have been measured and bands attributable to CC, SiC, NC and CH ionizations identified. In accordance with recent thermochemical studies, analysis of the spectra in terms of an equivalent orbital (EO) treatment indicates that adamantane is by no means strain-free. Manifestations of its steric discomfort include: (i) a splitting of 2 eV between formally degenerate orbitals localized in the methylene groups, (ii) a similar gap between orbitals correlating with the tertiary CH bonds, and (iii) a CC level ordering strikingly different from that expected on the basis of nearest neighbour CCCC interactions only. These findings are interpreted in terms of through-space CH⋯CH and transannular CC⋯CC interactions. The relevant EO parameters are reported.
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