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Chemistry. 2017 Jun 12;23(33):7891-7895. doi: 10.1002/chem.201701374. Epub 2017 May 11.

Redox-Disproportionation of a Decamethyltitanocene(III) Isonitrile Alkynyl Complex.

Chemistry (Weinheim an der Bergstrasse, Germany)

Fabian Reiß, Kai Altenburger, Dirk Hollmann, Anke Spannenberg, Haijun Jiao, Perdita Arndt, Uwe Rosenthal, Torsten Beweries

Affiliations

  1. Leibniz-Institut für Katalyse e.V. an der, Universität Rostock, Albert-Einstein-Str. 29a, 18059, Rostock, Germany.

PMID: 28418598 DOI: 10.1002/chem.201701374

Abstract

A mixed decamethyltitanocene(III) isonitrile alkynyl complex (7) was synthesized by the sequential introduction of the isonitrile and alkynyl ligands. Direct synthesis results in the formation of the diamagnetic decamethyltitanocene bis(isonitrile) (2) and bis(alkynyl) (3) complexes. Compound 7 undergoes disproportionation at room temperature to give 2 and 3. All complexes were fully characterized by IR, NMR, and EPR spectroscopy, and mass spectrometry. Molecular structures for complexes 2 and 7 are reported. The stability and reactivity of these complexes are rationalized by DFT computations.

© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords: EPR spectroscopy; X-ray diffraction; density functional calculations; metallocenes; titanium

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