The Dinuclear Zirconocene Complex as a Platform for Small Molecule Activation - experimental dataset

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F26%3A00647043" target="_blank" >RIV/61388955:_____/26:00647043 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
The Dinuclear Zirconocene Complex as a Platform for Small Molecule Activation - experimental dataset
Original language description
This dataset contains relevant raw data for the publication such as NMR and IR spectra, and results of DFT calculations. The dinuclear title compound [(Cp2Zr)2(μ-Me)(μ-C2Ph)] 5 was prepared from a zirconocene alkynyl methyl complex and Rosenthal’s zirconocene source [Cp2Zr(py)(η2-Me3SiC2SiMe3)] in a formal comproportionation reaction. This complex shows catalytic activity for the dehydrocoupling of amine boranes, with a dinuclear hydride-bridged alkynyl complex 6 being formed as a catalytically relevant species. The structure of this complex was confirmed for the first time by single-crystal X-ray analysis. The reaction of complex 5 with hydrogen results in hydrogenation of the alkynyl ligand, yielding a highly labile trinuclear hydride-bridged complex as a possible intermediate of zirconocene dihydride/ethylbenzene formation. This complex shows an unusual distorted planar tetracoordinate environment at the central carbon atom positioned between the three Zr centers.
Czech name
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Czech description
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Project
<a href="/en/project/EH22_008%2F0004558" target="_blank" >EH22_008/0004558: Advanced MUltiscaLe materials for key Enabling Technologies</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2026
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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