Formation of iridium(III) allene complexes via isomerization of internal alkynes

Neha Phadke, Michael Findlater

Research output: Contribution to journalArticlepeer-review

17 Scopus citations


Syntheses of the alkyne complexes (POCOP)Ir(η2-RCî - CR) (1-DPA, R = Ph; 1-Oct, R = C3H7; 1-Hex, R = C 2H5; POCOP = 2,6-bis(di-tert-butylphosphonito)benzene) are reported. 1-DPA is stable in both the solid state and as a benzene solution; however, both 1-Oct and 1-Hex slowly isomerize to afford the corresponding allene complexes 2-Oct and 2-Hex, respectively. A single-crystal X-ray structure determination of 2-Oct confirmed the assignment of an iridium-bound allene isomerization product. The rates of isomerization were measured using NMR techniques over a range of temperatures to allow determination of thermodynamic parameters. Finally, in contrast to prior reports, initial mechanistic studies have indicated the isomerization process is not catalyzed by the presence of an acid.

Original languageEnglish
Pages (from-to)16-18
Number of pages3
Issue number1
StatePublished - Jan 13 2014


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