Experimental electron density study of ethylene oxide at 100 K.
The experimental electron density of ethylene oxide was derived from a multipole refinement of 100 K X-ray data and complemented by density-functional calculations at experimental and optimized geometry. Atomic and bond-topological properties were derived using the atoms-in-molecules (AIM) formalism. The high strain in the three-membered ring molecule is mainly expressed by the high ellipticities of the three bonds in this ring, while the bond paths are only slightly bent for the C-C bond, but are virtually straight for the C-O bond.
Grabowsky
Simon
S
Institut für Chemie und Biochemie/Kristallographie, Freie Universität Berlin, Fabeckstrasse 36a, D-14195 Berlin, Germany.
Weber
Manuela
M
Buschmann
Jürgen
J
Luger
Peter
P