| 1124337-54-7

• CAS: 1124337-54-7
• 化学式: C₄₆H₄₃OP₂RhS
• 分子量: 808.766
• InChiKey: FJKCDNTXVHSKIP-WRUOHVJNSA-N

反应信息

• 作为产物：
  描述：

  在 NaH 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  From Neutral to Anionic η¹-Carbon Ligands: Experimental Synthesis and Theoretical Analysis of a Rhodium−Yldiide Complex

  摘要：

  Deprotonation of a cationic rhodium complex of a chelating semistabilized phosphino-phosphonium sulfinyl-ylide ligand afforded the neutral complex of the corresponding yldiide ligand. Despite the limited stability of the yldiide complex its structure was ascertained by ESI MS and multinuclear H-1, P-31, C-13, and Rh-103 NMR spectroscopy. DFT calculations were carried out at the B3PW91/6-31G*/LANL2DZ*(Rh) level to derive a reasonable gas-phase structure for the yldiide complex or model thereof and gain insight into their electronic structure. ELF and AIM topological analyses were used to investigate the metal-ligand bonding and estimate the electron transfer resulting from proton abstraction. ELF weighting of the resonance forms of the anionic "free" yldiide ligand (Ar3P=C--S(=O)Ar) was compared to the corresponding weighting of previously reported neutral counterparts (X=C=Y), namely, bis-alpha-zwitterionic bisylicles of phosphonium, sulfonium, or iminosulfonium moieties (X, Y = PR3, SR2, S(=NMe)R-2)The results suggest that the phosphonium sulfinylyldiide can be regarded as a tris-alpha,beta-zwitteranionic bisylicle (Ar3P+-C2--S+(-O-)p-Tol).

  DOI：

  10.1021/ic802104f