Abstract

The fragmentation of alkanes by electron impact can be interpreted using the results of MO calculations (LVCO-MO and LCBO-MO). the bond order p ij is a measure of the degree of fragmentation of the bond, and the sum of the charges q q gives an indication for the formation of a radical or cation. The low bond-order and high net charge of the cation formed involve a favoured cleavage of the corresponding CC bond.

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