MOLECULAR-ORBITALS CALCULATIONS OF C70H RADICALS

Bombardment Of C70 with positive muons leads to the formation of muonated radicals C70Mu. However, despite there being five distinct possible addition sites, only three radicals are easily observed with a fourth, very weak, signal also present. In order to provide guidance in assigning the radicals to specific sites, semi-empirical molecular-orbitals calculations of the analogous C70H radicals were undertaken. The results indicate that addition at the equatorial carbons is energetically disfavoured, and allow a reasonable assignment of the other sites to be made.