Structural characterization of a cationic zirconocene dimethylaniline complex and related catalytically relevant species

Wilson, Polly A., Wright, Joseph A. ORCID: https://orcid.org/0000-0001-9603-1001, Oganesyan, Vasily S. ORCID: https://orcid.org/0000-0002-8738-1146, Lancaster, Simon J. and Bochmann, Manfred ORCID: https://orcid.org/0000-0001-7736-5428 (2008) Structural characterization of a cationic zirconocene dimethylaniline complex and related catalytically relevant species. Organometallics, 27 (23). pp. 6371-6374.

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Abstract

We report the first crystallographically characterized dimethylaniline complex of a group 4 metallocene. [(IPCF)ZrMe(NMe2Ph)][B(C6F5)4] shows strongly coordinated NMe2Ph which does not interchange in solution. DFT calculations suggest that the Zr-N bond is 23 kJ mol-1 stronger than the Zr-Me-Zr bond in [{(IPCF)ZrMe}2(µ-Me)][MeB(C6F5)3], the structure of which is also reported (IPCF = Me2C(C5H4)(fluorenyl)).

Item Type: Article
Faculty \ School: Faculty of Science > School of Chemistry
UEA Research Groups: Faculty of Science > Research Groups > Biophysical Chemistry (former - to 2017)
Faculty of Science > Research Groups > Synthetic Chemistry (former - to 2017)
Faculty of Science > Research Groups > Chemistry of Materials and Catalysis
Faculty of Science > Research Groups > Chemistry of Light and Energy
Faculty of Science > Research Groups > Chemistry of Life Processes
Faculty of Science > Research Centres > Centre for Molecular and Structural Biochemistry
Faculty of Science > Research Groups > Energy Materials Laboratory
Faculty of Science > Research Groups > Centre for Photonics and Quantum Science
Depositing User: Vishal Gautam
Date Deposited: 02 Nov 2010 17:48
Last Modified: 10 Jan 2024 01:21
URI: https://ueaeprints.uea.ac.uk/id/eprint/10544
DOI: 10.1021/om800783h

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