Formation of [Ru(NHC)42-O2)H] +: An unusual, high frequency hydride chemical shift and facile, reversible coordination of O2

L Jonas L Haeller, Elena Mas-Marzá, Aitor Moreno, John P. Lowe, Stuart A. Macgregor, Mary F. Mahon, Paul S. Pregosin, Michael K. Whittlesey

Research output: Contribution to journalArticlepeer-review

33 Citations (Scopus)

Abstract

(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.

Original languageEnglish
Pages (from-to)9618-9619
Number of pages2
JournalJournal of the American Chemical Society
Volume131
Issue number28
DOIs
Publication statusPublished - 22 Jul 2009

Fingerprint

Dive into the research topics of 'Formation of [Ru(NHC)<sub>4</sub>(η<sup>2</sup>-O<sub>2</sub>)H] <sup>+</sup>: An unusual, high frequency hydride chemical shift and facile, reversible coordination of O<sub>2</sub>'. Together they form a unique fingerprint.

Cite this