Experimental investigation of bond additivity in the Compton profiles of liquid hydrocarbons

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Abstract
The Compton profiles of a series of saturated and unsaturated liquid hydrocarbons have been measured using a 5 Ci 241Am gamma-ray Compton spectrometer. The molecular systems studied have varied in size from C5H8 to C8H16 and included benzene and five pairs of acyclic-cyclic functional group isomers. An analysis of the experimental results has been carried out within the framework of a localized molecular orbital and self consistent field descriptions of these molecules. The results show that within the experimental accuracy (σ = ± 0·3 per cent) the reconstructed Compton profiles formed from theoretical and empirical sets of bond Compton profiles are not in complete agreement with experiment. However, the observed differences between the experimental profiles of the five pairs of isomers are accurately described in terms of the differences between CC single and double bond profiles. In this respect the present results confirm the earlier X-ray data of Eisenberger and Marra.