Geometry and electronic structure of Yb(iii)[CH(SiMe3)2]3 from EPR and solid-state NMR augmented by computations

Author:

Ashuiev Anton1,Allouche Florian1,Islam Md. Ashraful2ORCID,Carvalho José P.3ORCID,Sanders Kevin J.2ORCID,Conley Matthew P.4ORCID,Klose Daniel1ORCID,Lapadula Giuseppe1,Wörle Michael1,Baabe Dirk5,Walter Marc D.5ORCID,Pell Andrew J.2ORCID,Copéret Christophe1ORCID,Jeschke Gunnar1,Pintacuda Guido2ORCID,Andersen Richard A.6

Affiliation:

1. Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 1-5, 8093 Zurich, Switzerland

2. Université de Lyon, Centre de RMN à Très Hauts Champs de Lyon (UMR 5082 - CNRS, ENS Lyon, Université Claude Bernard Lyon 1), F-69100 Villeurbanne, France

3. Department of Materials and Environmental Chemistry, Stockholm University, Svänte Arrhenius väg 16 C, 106 91 Stockholm, Sweden

4. Department of Chemistry and Chemical Sciences, University of California Riverside, 501 Big Springs Road, Riverside, CA 92521, USA

5. Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, 38106 Braunschweig, Germany

6. Department of Chemistry, University of California, Berkeley, CA 94720, USA

Abstract

The combined use of magnetic resonance spectroscopies (EPR and solid-state NMR) and computational approaches enable the determination of the electronic structure and geometry of a paramagnetic Yb(iii) alkyl complex.

Funder

Agence Nationale de la Recherche

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

H2020 European Research Council

Publisher

Royal Society of Chemistry (RSC)

Reference58 articles.

1. J.Hartwig , Organotransition Metal Chemistry: From Bonding to Catalysis , University Science Books , Mill Valley, California , 2010

2. G.Wilkinson , G. A.Stone and E. W.Abel , Comprehensive organometallic chemistry: The synthesis, reactions, and structures of organometallic compounds , Pergamon Press , 1982

3. A π-Donor Spectrochemical Series for X in (Me5C5)2TiX, and β-Agostic Interactions in X = Et and N(Me)Ph

4. Carbonhydrogen-transition metal bonds

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