Grabowsky, Simon; Jayatilaka, Dylan; Mebs, Stefan; Luger, Peter (2010). The Electron Localizability Indicator from X-Ray Diffraction Data-A First Application to a Series of Epoxide Derivatives. Chemistry - a European journal, 16(43), pp. 12818-12821. Wiley-VCH 10.1002/chem.201002061
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No longer hidden! An extension of the capabilities of the X‐ray diffraction experiment is introduced. Locations of electron pairs within a molecule can be measured and made visible (see figure). This is demonstrated on a series of epoxides, for which ring strain, crystal, and substituent effects can be quantified. Comparison with experimental and theoretical electron‐density analyses shows the advantages of the new method.
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: |
0947-6539 |
Publisher: |
Wiley-VCH |
Language: |
English |
Submitter: |
Simon Grabowsky |
Date Deposited: |
06 Feb 2020 10:11 |
Last Modified: |
05 Dec 2022 15:35 |
Publisher DOI: |
10.1002/chem.201002061 |
BORIS DOI: |
10.7892/boris.138493 |
URI: |
https://boris.unibe.ch/id/eprint/138493 |
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