H-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir(H)(η2-H2)(iPr)4(POCOP)(DMAP)]

Nisha K Agrawal; S Gayathridevi; Soumya R Dash; Kumar Vanka; Balaji R Jagirdar

doi:10.1039/d3dt02366d

H-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir(H)(η²-H₂)^(iPr)4(POCOP)(DMAP)]

Dalton Trans. 2023 Oct 10;52(39):13858-13863. doi: 10.1039/d3dt02366d.

Authors

Nisha K Agrawal¹, S Gayathridevi^{2

3}, Soumya R Dash^{2

3}, Kumar Vanka^{2

3}, Balaji R Jagirdar¹

Affiliations

¹ Department of Inorganic & Physical Chemistry, Indian Institute of Science, Bangalore 560 012, India. jagirdar@iisc.ac.in.
² Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, Pune 411 008, India.
³ Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201 002, India.

PMID: 37743752
DOI: 10.1039/d3dt02366d

Abstract

Treatment of trans-[Ir(H)(N)₂^(iPr)4(POCOP)(DMAP)][BAr₄^f] (2) with H₂ (1 bar) under ambient conditions (298 K) results in the formation of a trans-[Ir(H)(η²-H₂)^(iPr)4(POCOP)(DMAP)][BAr₄^f] (3) complex. Complex 3 exhibits H-atom site exchange between the bound H₂ and the hydride ligands which are mutually trans to one another. A plausible mechanism of this exchange involves metal-ligand cooperativity as studied by computations.