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

Giovanni La Macchia; Francesco Aquilante; Valera Veryazov; Björn Roos; Laura Gagliardi

doi:10.1021/ic801537w

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

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

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Forskningsoutput: Tidskriftsbidrag › Artikel i vetenskaplig tidskrift › Peer review

Sammanfattning

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.

Originalspråk	engelska
Sidor (från-till)	11455-11457
Tidskrift	Inorganic Chemistry
Volym	47
Nummer	24
DOI	https://doi.org/10.1021/ic801537w
Status	Published - 2008

Bibliografisk information

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)

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10.1021/ic801537w

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title = "Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds",

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 Francesco Aquilante and Valera Veryazov and Bj{\"o}rn Roos and Laura Gagliardi",

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doi = "10.1021/ic801537w",

language = "English",

volume = "47",

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T1 - Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds

AU - La Macchia, Giovanni

AU - Aquilante, Francesco

AU - Veryazov, Valera

AU - Roos, Björn

AU - Gagliardi, Laura

N1 - 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)

PY - 2008

Y1 - 2008

N2 - 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.

AB - 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.

U2 - 10.1021/ic801537w

DO - 10.1021/ic801537w

M3 - Article

SN - 1520-510X

VL - 47

SP - 11455

EP - 11457

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 24

ER -

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

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