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The Ligand-Based Quintuple Bond-Shortening Concept and Some of Its Limitations

Title data

Noor, Awal ; Bauer, Tobias ; Todorova, Tanya K. ; Weber, Birgit ; Gagliardi, Laura ; Kempe, Rhett:
The Ligand-Based Quintuple Bond-Shortening Concept and Some of Its Limitations.
In: Chemistry : a European Journal. Vol. 19 (2013) Issue 30 . - pp. 9825-9832.
ISSN 1521-3765
DOI: https://doi.org/10.1002/chem.201301240

Abstract in another language

Herein, the ligand-based concept of shortening quintuple bonds and some of its limitations are reported. In dichromium–diguanidinato complexes, the length of the quintuple bond can be influenced by the substituent at the central carbon atom of the used ligand. The guanidinato ligand with a 2,6-dimethylpiperidine backbone was found to be the optimal ligand. The reduction of its chromium(II) chloride–ate complex gave a quintuply bonded bimetallic complex with a Cr[BOND]Cr distance of 1.7056 (12) Å. Its metal–metal distance, the shortest observed in any stable compound yet, is of essentially the same length as that of the longest alkane C[BOND]C bond (1.704 (4) Å). Both molecules, the alkane and the Cr complex, are of remarkable stability. Furthermore, an unsupported CrI dimer with an effective bond order (EBO) of 1.25 between the two metal atoms, indicated by CASSCF/CASPT2 calculations, was isolated as a by-product. The formation of this by-product indicates that with a certain bulk of the guanidinato ligand, other coordination isomers become relevant. Over-reduction takes place, and a chromium–arene sandwich complex structurally related to the classic dibenzene chromium complex was observed, even when bulkier substituents are introduced at the central carbon atom of the used guanidinato ligand.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Anorganic Chemistry IV > Chair Anorganic Chemistry IV - Univ.-Prof. Dr. Birgit Weber
Faculties
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Anorganic Chemistry IV
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 540 Chemistry
Date Deposited: 26 Jul 2017 10:52
Last Modified: 26 Jul 2017 10:52
URI: https://eref.uni-bayreuth.de/id/eprint/38817