The structure of liquid acetic acid-an interpretation of neutron diffraction results by geometrical models

Abstract

The experimental coherent differential cross section and the weighted sum of atom pair correlation functions determined by neutron diffraction are compared with theoretically computed functions. Geometrical models describing the association of two molecules are used. Association of molecules occurs by forming dimers with an OO distance of 2.70 Å and an OH separation of 1.71 Å. A crystal-like dimer structure yields a good description of the structure of liquid acetic acid. The chain structure existing in the solid phase can be excluded.