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Structural and Reactivity Studies of “Pincer” Pyridine Dicarbene Complexes of Fe0: Experimental and Computational Comparison of the Phosphine and NHC Donors |
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| Authors: | Andreas?A Danopoulos Dr David Pugh Dr Hayley Smith Jörg Saßmannshausen Dr |
| Institution: | 1. School of Chemistry, University of Southampton, Highfield, Southampton (UK), Fax: (+44)?23‐8059‐3781;2. Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral St. Glasgow, G1 1XL (UK), Fax: (+44)?141‐548‐4822 |
| Abstract: | Pincer carbene complexes : Comparison of the electronic structures of “pincer” Fe0 pyridine bis(imidazol‐2‐ylidene) and pyridine diphosphine dicarbonyl complexes (see figure) show subtle differences that account for observed spectroscopic trends. Intermolecular C? H activation has been observed in Fe pyridine dicarbene complexes.  |
| Keywords: | density functional calculations heterocyclic carbenes iron phosphanes pincer complexes |