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The combination of 6-SIDipp·AlH3 (1) and 5-IDipp resulted in the ring expansion of 6-NHC, while the five-membered NHC remained unchanged, which was subsequently explained by DFT studies. Besides, the substitution chemistry of 1 was also studied with TMSOTf and I2, which gave rise to the substitution of a hydride by triflate or iodide ligands. [ABSTRACT FROM AUTHOR]

Treatment of trans-[Ir(H)(N)2(iPr)4(POCOP)(DMAP)][BAr4f] (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)][BAr4f] (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. [ABSTRACT FROM AUTHOR]

Herein, we report two 2,2′-pyridylpyrrolide (PyPyrH) ligand supported magnesium complexes (1 and 2), which demonstrate bright luminescence with a quantum yield of 22% and 14% in the solid state, respectively. Theoretical calculations reveal that their emissive properties originate from the intra- and inter-ligand charge transfer. [ABSTRACT FROM AUTHOR]