Neutron diffraction study of liquid carbon dioxide at two thermodynamic states

The molecular and liquid structure of CO2 is studied. At number densities 15·8 and 14·9 nm-3 the C=O-distance is found to be 0·11569(8) nm. A RISM study of the liquid structure at the two densities yields σO = 0·28 nm and σ C = 0·33 nm, and accounts for most of the structural differences. The change of structure is governed mainly by the shape and density of the molecules.