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Synthesis, Structure and Conformation of cis- and trans-(μ-1,6-Dimethylheptalene)bis(tricarbonyliron)

Grimm, Felix W. ; Hafner, Klaus ; Lindner, Hans Jörg (2022)
Synthesis, Structure and Conformation of cis- and trans-(μ-1,6-Dimethylheptalene)bis(tricarbonyliron).
In: Chemische Berichte, 129 (12)
doi: 10.26083/tuprints-00022382
Article, Secondary publication, Publisher's Version

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Item Type: Article
Type of entry: Secondary publication
Title: Synthesis, Structure and Conformation of cis- and trans-(μ-1,6-Dimethylheptalene)bis(tricarbonyliron)
Language: English
Date: 2022
Place of Publication: Darmstadt
Publisher: Wiley
Journal or Publication Title: Chemische Berichte
Volume of the journal: 129
Issue Number: 12
DOI: 10.26083/tuprints-00022382
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Origin: Secondary publication service

The reaction of 1,6-dimethylheptalene (2) with Fe₂(CO)₉ affords two binuclear iron complexes 4a and 4b, each bearing two tricarbonyliron moieties, in trans and cis orientation, respectively. The reaction leads additionally to the formation of the monocomplexed compound 3. NMR studies indicate that the heptalene moiety of the new compounds is a π-bond isomer of 2, and this is clearly attributable to steric factors. Single-crystal X-ray structure analyses of the metal complexes 4a and 4b confirm that the Fe(CO)₃ fragments adopt trans and cis geometries, respectively, with respect to the plane of the carbocycle. The ring systems of the two isomers adopt different conformations in the solid state. In the case of 4a, a hitherto unknown chair-like conformation is determined, whereas in complex 4b the ring system shows a twisted double boat conformation.

Uncontrolled Keywords: Heptalenes / Carbonyliron complexes / cis and trans complexation
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-223823
Classification DDC: 500 Science and mathematics > 540 Chemistry
Divisions: 07 Department of Chemistry > Clemens-Schöpf-Institut > Organ Chemistry
Date Deposited: 28 Nov 2022 09:47
Last Modified: 21 Apr 2023 12:40
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/22382
PPN: 507154002
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