Bond Length and Bond Order in One of the Shortest Cr−Cr Bonds | Zendy

Giovanni La Macchia | Zendy; Francesco Aquilante | Zendy; Valera Veryazov | Zendy; Björn O. Roos | Zendy; Laura Gagliardi | Zendy

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Bond Length and Bond Order in One of the Shortest Cr−Cr Bonds

Author(s) -

Giovanni La Macchia,

Francesco Aquilante,

Valera Veryazov,

Björn O. Roos,

Laura Gagliardi

Publication year - 2008

Publication title -

inorganic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.348

H-Index - 233

eISSN - 1520-510X

pISSN - 0020-1669

DOI - 10.1021/ic801537w

Subject(s) - chemistry , bond , bond order , bond length , order (exchange) , sextuple bond , bent bond , crystallography , crystal structure , finance , economics

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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