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

La Macchia, Giovanni ; Aquilante, Francesco ; Veryazov, Valera LU orcid ; Roos, Björn LU and Gagliardi, Laura (2008) In Inorganic Chemistry 47(24). p.11455-11457
Abstract
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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author
; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Inorganic Chemistry
volume
47
issue
24
pages
11455 - 11457
publisher
The American Chemical Society (ACS)
external identifiers
  • wos:000261510100004
  • scopus:60849114477
ISSN
1520-510X
DOI
10.1021/ic801537w
language
English
LU publication?
yes
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)
id
b9faa2ee-c118-4504-896d-970824c53ca9 (old id 1305605)
date added to LUP
2016-04-01 11:56:55
date last changed
2023-01-03 01:42:36
@article{b9faa2ee-c118-4504-896d-970824c53ca9,
  abstract     = {{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.}},
  author       = {{La Macchia, Giovanni and Aquilante, Francesco and Veryazov, Valera and Roos, Björn and Gagliardi, Laura}},
  issn         = {{1520-510X}},
  language     = {{eng}},
  number       = {{24}},
  pages        = {{11455--11457}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Inorganic Chemistry}},
  title        = {{Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds}},
  url          = {{http://dx.doi.org/10.1021/ic801537w}},
  doi          = {{10.1021/ic801537w}},
  volume       = {{47}},
  year         = {{2008}},
}