Center for Hyperpolarization in Magnetic Resonance (CHyM), University of York, Heslington, York YO10 5NY, UK.
Dalton Trans. 2019 Oct 14;48(40):15198-15206. doi: 10.1039/c9dt02951f.
Signal Amplification By Reversible Exchange (SABRE) is a hyperpolarisation technique that commonly uses [Ir(H)2(carbene)(substrate)3]Cl complexes to catalytically transfer magnetisation from para-hydrogen derived hydride ligands to coordinated substrates. Here, we explore the reactivity of a novel class of such catalysts based on sulfoxide containing [IrCl(H)2(carbene)(DMSO)2], which are involved in the hyperpolarisation of pyruvate using SABRE. We probe the reactivity of this species by NMR and DFT and upon reaction with sodium pyruvate establish the formation of two isomers of [Ir(H)2(η2-pyruvate)(DMSO)(IMes)]. Studies with related disodium oxalate yield [Ir2(H)4(IMes)2(DMSO)2(η2-κ2-Oxalate)] that is characterised by NMR and X-ray diffraction.
信号放大可逆交换（SABRE）是一种超极化技术，通常使用 [Ir(H)2(carbene)(底物)3]Cl 配合物来催化从源自仲氢的氢化物配体向配位底物转移磁化。在这里，我们探索了一类基于含砜的 [IrCl(H)2(carbene)(DMSO)2] 的新型催化剂的反应性，这些催化剂参与使用 SABRE 对丙酮酸进行超极化。我们通过 NMR 和 DFT 探测了这种物质的反应性，并且在与丙酮酸钠反应后，建立了 [Ir(H)2(η2-丙酮酸)(DMSO)(IMes)] 的两种异构体的形成。与相关的草酸钠的研究产生了 [Ir2(H)4(IMes)2(DMSO)2(η2-κ2-草酸盐)]，其通过 NMR 和 X 射线衍射进行了表征。
