Electron density distributions on C–C single, double and triple bonds. Pitfalls and prospects of the analysis of accurate X-ray diffraction data

Abstract

Results obtained so far at Groningen for electron densities of compounds having single, double and triple C-C bonds are compared with each other and with densities from ab initio theoretical calculations. Suggestions for the improvement of further electron density studies and for the determination of physical properties from diffraction data are made.