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Iridium Cyclooctene Complex That Forms a Hyperpolarization Transfer Catalyst before Converting to a Binuclear C–H Bond Activation Product Responsible for Hydrogen Isotope Exchange

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NIAID Data Ecosystem2026-03-09 收录
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https://figshare.com/articles/dataset/Iridium_Cyclooctene_Complex_That_Forms_a_Hyperpolarization_Transfer_Catalyst_before_Converting_to_a_Binuclear_C_H_Bond_Activation_Product_Responsible_for_Hydrogen_Isotope_Exchange/4217004
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资源简介:
[IrCl­(COE)2]2 (1) reacts with pyridine (py) and H2 to form crystallographically characterized IrCl­(H)2(COE)­(py)2 (2). 2 undergoes py loss to form 16-electron IrCl­(H)2(COE)­(py) (3), with equivalent hydride ligands. When this reaction is studied with parahydrogen, 1 efficiently achieves hyperpolarization of free py (and nicotinamide, nicotine, 5-aminopyrimidine, and 3,5-lutudine) via signal amplification by reversible exchange (SABRE) and hence reflects a simple and readily available precatayst for this process. 2 reacts further over 48 h at 298 K to form crystallographically characterized (Cl)­(H)­(py)­(μ-Cl)­(μ-H)­(κ-μ-NC5H4)­Ir­(H)­(py)2 (4). This dimer is active in the hydrogen isotope exchange process that is used in radiopharmaceutical preparations. Furthermore, while [Ir­(H)2(COE)­(py)3]­PF6 (6) forms upon the addition of AgPF6 to 2, its stability precludes its efficient involvement in SABRE.
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2016-12-27
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