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Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium

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Date
14/12/2019
Author
Lawrence, Samuel
Ohlin, C. André
Cordes, David B.
Slawin, Alexandra M. Z.
Stasch, Andreas
Keywords
QD Chemistry
DAS
BDC
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Abstract
The reaction of the magnesium(I) complexes [{(Arnacnac)Mg}2], (Arnacnac = HC(MeCNAr)2, Ar = Dip (2,6-iPr2C6H3), Dep (2,6-Et2C6H3), Mes (2,4,6-Me3C6H2), Xyl (2,6-Me2C6H3)) with fullerene C60 afforded a series of hydrocarbon-soluble fulleride complexes [{(Arnacnac)Mg}nC60], predominantly with n = 6, 4 and 2. 13C{1H} NMR spectroscopic studies show both similarities (n = 6) and differences (n = 4, 2) to previously characterised examples of fulleride complexes and materials with electropositive metal ions. The molecular structures of [{(Arnacnac)Mg}nC60] with n = 6, 4 and 2 can be described as inverse coordination complexes of n [(Arnacnac)Mg]+ ions with C60n- anions showing predominantly ionic metal-ligand interactions, and include the first well-defined and soluble complexes of the C606- ion. Experimental studies show the flexible ionic nature of the {(Arnacnac)Mg}+∙∙∙∙C606- coordination bonds. DFT calculations on the model complex [{(Menacnac)Mg}6C60] (Menacnac = HC(MeCNMe)2) support the formulation as an ionic complex with a central C606- anion and comparable frontier orbitals to C606- with a small HOMO-LUMO gap. The reduction of C60 to its hexaanion gives an indication about the reducing strength of dimagnesium(I) complexes.
Citation
Lawrence , S , Ohlin , C A , Cordes , D B , Slawin , A M Z & Stasch , A 2019 , ' Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium ' , Chemical Science , vol. 10 , no. 46 , pp. 10755-10764 . https://doi.org/10.1039/C9SC03857D
Publication
Chemical Science
Status
Peer reviewed
DOI
https://doi.org/10.1039/C9SC03857D
ISSN
2041-6520
Type
Journal article
Rights
Copyright © 2019 The Author(s). Open Access Article. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Description
This work was supported by the University of St Andrews and the EPSRC (PhD studentship for SRL; EP/N509759/1). CAO thanks the Kempe Foundation for grant JCK-1719, and computational resources were provided by the High Performance Computing Centre North (HPC2N) and the National Supercomputer Centre (NSC) via grants SNIC 2018/3-253 and 2018/3-389, respectively.
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  • University of St Andrews Research
URI
http://hdl.handle.net/10023/18702

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