10.1021/om801110x.s002
Hui Huang
Hui
Huang
Arnold L. Rheingold
Arnold L.
Rheingold
Russell P. Hughes
Russell P.
Hughes
Serendipitous Discovery of a Simple Compound with an Unsupported Ir−Ir Bond
American Chemical Society
2009
oxidation reaction
CF 3SO
DFT
Serendipitous Discovery
NBO calculations
Ir
2009-03-09 00:00:00
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Serendipitous_Discovery_of_a_Simple_Compound_with_an_Unsupported_Ir_Ir_Bond/2872894
The long-known compound Ir(acac)(CO)<sub>2</sub> (acac = 2,4-pentanedionato) undergoes a formal oxidation reaction when treated with AgOTf (Tf = CF<sub>3</sub>SO<sub>2</sub>) to give the dinuclear complex [Ir(acac)(OTf)(CO)<sub>2</sub>]<sub>2</sub>, containing an unsupported Ir−Ir bond. The compound has been characterized by a single-crystal X-ray diffraction study, and DFT and NBO calculations have been employed to probe the nature of the Ir−Ir bond. Reduction of the complex regenerates Ir(acac)(CO)<sub>2</sub>.