Abstract

This contribution examines the size and shape of aromatic organic molecules against a background of existing concepts of molecular size and shape, and against a background of data for aliphatics. It is therefore partly a review and partly an analysis of new computational results. It is stressed that the notion of shape can be-and has been-detached from the notion of size, that the notion of size can be-and has been-detached from the notion of shape, but also that the two can be and have been wedded to advantage. A substantial amount of new material is presented, discussion concentrating on molecular volumes, surface areas, cross-sectional areas, average free volumes in the bulk, and packing densities. A distinction is made between the bare and the expanded molecular bodies. It is concluded that attributes of the first type of body work better in correlations, while attributes of the second are closer to experimental measures of size.

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