The merits and limitations of gas-phase electron diffraction as a technique for determining accurately the structures of small organic molecules are demonstrated by comparing the molecular structures of five benzene derivatives studied in two different laboratories. The existence of many possible representations of the structure of a molecule (ra, rg, rα, rα0, re,...), implying differences in the physical meaning of geometrical parameters, is discussed in some detail as it may cause difficulties in a comparison. Also illustrated are different ways of estimating and expressing uncertainties in the geometrical parameters from a gas-phase electron diffraction study.
- Gas-phase electron diffraction
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry