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Inorg Chem. 2008 Dec 15;47(24):11455-7. doi: 10.1021/ic801537w.

Bond length and bond order in one of the shortest Cr-Cr bonds.

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  • 1Department of Physical Chemistry, University of Geneva, 30 Quai Ernest Ansermet, CH-1211 Geneva, Switzerland.


Multiconfigurational quantum chemical calculations on the R-diimines dichromium compound confirm that the Cr-Cr bond, 1.80 A, 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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