Theoretical Determination of Electron Density in Organic Molecules

Abstract

IN a recent paper, Abrahams, Robertson and White1 have determined the electron density in naphthalene by means of X-ray analysis. They found that the electron density is greatest at the carbon atom in the meso-position, smallest at the β-position, and intermediate at the α-position. Between each pair of carbon atoms there is an electron density, evidently due to the binding pairs, which assumes its largest value between the α- and β-positions, and the smallest value between the two meso-positions.