Abstract
Origins of the H 1s spin densities on the trans CH protons were reinvestigated for the radical cations of some methyl-branched small alkanes based on ESR results and INDO MO calculations. It was concluded that the delocalization of spin densities could not be ignored to explain the large and non-equivalent proton hf couplings of the radical cations. The conformations of 2-methylbutane +• and 3-methylpentane +• trapped in CClF 2CCl 2F were found to be different from the previously reported ones.
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