Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 133, Issue 33, Pages 13162-13168Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja2047599
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Funding
- EPSRC [EP/E050743/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/E050743/1] Funding Source: researchfish
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Herein is reported the synthesis, by a solid-state reaction from [Ir(NBD)(2)-((PPr3)-Pr-i)][BAr4F], of the first example of a C-C sigma-complex with iridium, [Ir(BINOR-S)-((PPr3)-Pr-i)][BAr4F]. This compound is unique in that in the solid state it undergoes reversible activation of the C-C single bond that interacts with the metal center, establishing a temperature-dependent equilibrium between Ir(III) C-C sigma/Ir(V) bis-alkyl complexes. This process has been interrogated by variable-temperature X-ray diffraction, NMR spectroscopy, and DFT calculations.
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