Journal article
A Series of Crystallographically Characterized Linear and Branched sigma-Alkane Complexes of Rhodium: From Propane to 3-Methylpentane
Alexander J Bukvic, Arron L Burnage, Graham J Tizzard, Antonio J Martinez-Martinez, Alasdair McKay, Nicholas H Rees, Bengt E Tegner, Tobias Kramer, Heather Fish, Mark R Warren, Simon J Coles, Stuart A Macgregor, Andrew S Weller
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | AMER CHEMICAL SOC | Published : 2021
DOI: 10.1021/jacs.1c00738
Abstract
Using solid-state molecular organometallic (SMOM) techniques, in particular solid/gas single-crystal to single-crystal reactivity, a series of σ-alkane complexes of the general formula [Rh(Cy2PCH2CH2PCy2)(ηn:ηm-alkane)][BArF4] have been prepared (alkane = propane, 2-methylbutane, hexane, 3-methylpentane; ArF = 3,5-(CF3)2C6H3). These new complexes have been characterized using single crystal X-ray diffraction, solid-state NMR spectroscopy and DFT computational techniques and present a variety of Rh(I)···H-C binding motifs at the metal coordination site: 1,2-η2:η2 (2-methylbutane), 1,3-η2:η2 (propane), 2,4-η2:η2 (hexane), and 1,4-η1:η2 (3-methylpentane). For the linear alkanes propane and hexa..
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Awarded by EPSRC
Awarded by Leverhulme Trust
Funding Acknowledgements
This paper is dedicated to Professor Robin N. Perutz on the occasion of his 70th birthday. We thank the EPSRC (EP/M024210, and the UK National Crystallography Service), the Leverhulme Trust (RPG-2015-447), and SGC Chemicals for funding, T. M. Boyd (York) for experimental assistance and useful discussions, and Dr. M. Chadwick (Imperial College) for the initial synthesis of [1-isoprene][BArF4]. This work used the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk) and the Cirrus UK National Tier-2 HPC Service at the EPCC (http://www.cirrus.ac.uk) funded by the University of Edinburgh and the EPSRC (EP/P020267/1).