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Anthony Woolf, Muhsen A. M. Alibadi, Adrian B. Chaplin, John E. McGrady and Andrew S. Weller {Rh(PiBu3)2}+ Fragments Ligated to Arenes: From Benzene to Polyaromatic Hydrocarbons, Part II – Computational Analysis of Pathways for Haptotropic Migration European Journal of Inorganic Chemistry 2011

Article first published online: 21 FEB 2011 | DOI: 10.1002/ejic.201001264

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Unavoidable compromises between the electronic demands of the {Rh(PiBu3)2}+ fragment and the aromatic ligand lead to low barriers to haptotropic shifts in complexes of pyrene and coronene.

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