Laboratoire Hétérochimie Fondamentale et Appliquée (LHFA, UMR 5069), 118 Route de Narbonne, 31062, Toulouse Cedex 09, France.
IFP Energies nouvelles, Rond-Point de l'Echangeur de Solaize BP3, 69360, Solaize, France.
Chemistry. 2018 Aug 14;24(46):11922-11925. doi: 10.1002/chem.201802579. Epub 2018 Jun 25.
The peri-iodo naphthyl phosphine 1 reacts with CuI to give the peri-bridged phosphonio-naphthalene 2, which has been fully characterized (multi-nuclear NMR, MS, XRD). The outcome of the reaction differs markedly from that observed with gold. A two-step pathway involving P-assisted C-I oxidative addition to copper, followed by P-C reductive elimination is shown to be energetically feasible by DFT calculations.
邻碘萘基膦 1 与 CuI 反应生成桥联磷杂-萘 2，已对其进行了充分的表征（多核 NMR、MS、XRD）。与金相比，反应的结果明显不同。通过 DFT 计算表明，涉及 P 辅助 C-I 对铜的氧化加成，随后进行 P-C 还原消除的两步途径在能量上是可行的。
