The Electron Localizability Indicator from X-Ray Diffraction Data-A First Application to a Series of Epoxide Derivatives

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 > Departement of Chemistry and Biochemistry

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:

06 Feb 2020 10:11

Publisher DOI:

10.1002/chem.201002061

BORIS DOI:

10.7892/boris.138493

URI:

https://boris.unibe.ch/id/eprint/138493

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