Low-Coordinated Titanium(III) Alkyl-Molecular and Surface-Complexes: Detailed Structure from Advanced EPR Spectroscopy.
- Resource Type
- Academic Journal
- Authors
- Allouche F; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1-5, 8093, Zürich, Switzerland.; Klose D; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1-5, 8093, Zürich, Switzerland.; Gordon CP; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1-5, 8093, Zürich, Switzerland.; Ashuiev A; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1-5, 8093, Zürich, Switzerland.; Wörle M; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1-5, 8093, Zürich, Switzerland.; Kalendra V; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1-5, 8093, Zürich, Switzerland.; Faculty of Physics, Vilnius University, Sauletekio 3, 10257, Vilnius, Lithuania.; Current address: Department of Chemistry and Chemical Biology and The Baruch '60 Center for Biochemical Solar Energy, Rensselaer Polytechnic Institute, Troy, NY, 12180, USA.; Mougel V; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1-5, 8093, Zürich, Switzerland.; Current address: Laboratoire de Chimie des Processus Biologiques, CNRS UMR 8229, Collège de France, Université Pierre et Marie Curie, 11 Place Marcelin Berthelot, 75231, Paris Cedex 05, France.; Copéret C; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1-5, 8093, Zürich, Switzerland.; Jeschke G; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1-5, 8093, Zürich, Switzerland.
- Source
- Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 0370543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3773 (Electronic) Linking ISSN: 14337851 NLM ISO Abbreviation: Angew Chem Int Ed Engl Subsets: PubMed not MEDLINE
- Subject
- Language
- English
The structure of paramagnetic surface species is notoriously difficult to determine. For Ti III centers related to Ziegler-Natta catalysis, we demonstrate here that detailed structural information can be obtained by advanced EPR spectroscopy and DFT computations, benchmarked on molecular analogs. The hyperfine sublevel correlation (HYSCORE) spectra obtained after reaction with 13 C-labeled ethylene provides information about the coupling with a proton in the first coordination sphere of Ti III as well as significant 13 C hyperfine coupling and thereby allows structural assignment of the surface species.
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