(Chemical Equation Presented) Reaction of the purple tetrakiscarbene ruthenium cation [Ru(IiPr2Me2) 4H]+ (1, IiPr2Me2 = 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene) with oxygen affords the pink ?2-O2 hydride species [Ru(IiPr 2Me2)4(?2-O2)H] + (2). 2 displays (i) a very facile, reversible O2 coordination and (ii) an unexpectedly positive hydride chemical shift, and both these features can be predicted and explained by density functional theory (DFT) calculations. © 2009 American Chemical Society.
|Number of pages||2|
|Journal||Journal of the American Chemical Society|
|Publication status||Published - 22 Jul 2009|