Grabowsky, Simon; Weber, Manuela; Buschmann, Jürgen; Luger, Peter (2008). Experimental electron density study of ethylene oxide at 100 K. Acta crystallographica. Section B - Structural science, 64(3), pp. 397-400. Wiley-Blackwell 10.1107/S0108768108010197
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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.
Item Type: |
Journal Article (Original Article) |
|---|---|
Division/Institute: |
08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP) |
UniBE Contributor: |
Grabowsky, Simon |
Subjects: |
500 Science > 570 Life sciences; biology 500 Science > 540 Chemistry |
ISSN: |
0108-7681 |
Publisher: |
Wiley-Blackwell |
Language: |
English |
Submitter: |
Simon Grabowsky |
Date Deposited: |
05 Feb 2020 16:35 |
Last Modified: |
05 Dec 2022 15:35 |
Publisher DOI: |
10.1107/S0108768108010197 |
BORIS DOI: |
10.7892/boris.138502 |
URI: |
https://boris.unibe.ch/id/eprint/138502 |
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