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

Giovanni La Macchia, Francesco Aquilante, Valera Veryazov, Björn O. Roos, Laura Gagliardi

Research output: Contribution to journalArticlepeer-review

55 Scopus citations

Abstract

Multiconfigurational quantum chemical calculations on the R-diimines dichromium compound confirm that the Cr-Cr bond, 1.80 Å, is among the shortest CrI-CrI 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.

Original languageEnglish (US)
Pages (from-to)11455-11457
Number of pages3
JournalInorganic chemistry
Volume47
Issue number24
DOIs
StatePublished - 2008

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