Hemilability Modulation via Phosphane-Triazole Ligand Design: Impact on Catalytic Formic Acid Dehydrogenation.

ABSTRACT: Two novel P-N ligands, 1-[2-(diphenylphosphanyl)ethyl]-1H-benzo-1,2,3-triazole (1) and its N2-isomer (2), were synthesized. Reaction of 1 and 2 with [Ir(μ-Cl)(cod)]₂ and [Rh(μ-Cl)(cod)]₂ in a 2:1 molar ratio followed by AgBF₄ led to the formation of square-planar κ²-P,N complexes, Ir-1, Ir-2, Rh-1 and Rh-2. Density functional theory studies provided insights into the electronic structure and bonding of the complexes. Complex Ir-3 was also prepared for comparison, employing ligand 3, 1-[2-(diphenylphosphanyl)methyl]-1H-benzo-1,2,3-triazole. Variable-temperature NMR studies on [IrCl(cod)(P-N)] complexes revealed fluxional behavior attributed to ligand

SUBMITTER: Garcia-Abellan S 

PROVIDER: S-EPMC12728932 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature