Journal
INORGANIC CHEMISTRY
Volume 47, Issue 24, Pages 11455-11457Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ic801537w
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Funding
- Swiss National Science Foundation [200021-111645/1, 200020-120007]
- Swedish Research Council
- Swiss National Science Foundation (SNF) [200020-120007] Funding Source: Swiss National Science Foundation (SNF)
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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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