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Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry.
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2008 (English)In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 47, 11455-11457 p.Article in journal (Refereed) Published
Abstract [en]

Multiconfigurational quantum chemical calculations on the R-diimines dichromium compound confirm that the Cr-Cr bond, 1.80 angstrom, is among the shortest Cr-I-Cr-I bonds. However, the bond between the two Cr atoms is only a quadruple bond rather than a quintuple bond. The reason why the bond is so short has to be attributed to the strain in the NCCN ligand moieties.

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2008. Vol. 47, 11455-11457 p.
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Natural Sciences
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URN: urn:nbn:se:uu:diva-145688DOI: 10.1021/ic801537wOAI: oai:DiVA.org:uu-145688DiVA: diva2:396622
Available from: 2011-02-10 Created: 2011-02-10 Last updated: 2017-12-11Bibliographically approved

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Aquilante, Francesco

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