{2-(CO)-2-(PPh3)-closo-2,1-PdTeB10H9(PPh3)}{BF4} * C6H5Me | 147133-79-7

• 英文名称: {2-(CO)-2-(PPh3)-closo-2,1-PdTeB10H9(PPh3)}{BF4} * C6H5Me
• CAS: 147133-79-7
• 化学式: BF₄*C₇H₈*C₃₇H₃₉B₁₀OP₂PdTe
• 分子量: 1082.74
• InChiKey: ONUQZULYNPEGCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  {2-(H2O)-2-(PPh3)-closo-2,1-PdTeB10H9(PPh3)}{BF4} * 0.89 CH2Cl2 、 一氧化碳 、 甲苯 以 甲苯 为溶剂， 以39.3%的产率得到{2-(CO)-2-(PPh3)-closo-2,1-PdTeB10H9(PPh3)}{BF4} * C6H5Me
  参考文献：
  名称：

  Metallaheteroborane chemistry. Part 12. Synthesis of cationic metallaheteroboranes [2-L-2-(PPh3)-closo-2,1-PdTeB10H9(PPh3)][BF4]; molecular structures of the compounds with L = H2O or CO

  摘要：

  The reaction of Ag[BF4] and [2-1-2-(PPh3)-closo-2,1 -PdTeB10H9(PPh3)] 1 in toluene for 30 min at room temperature and subsequent isolation of the product under aerobic conditions afforded [2-(H2O)-2-(PPh3)-closo-2,1-PdTeB10H9(PPh3)][BF4] 2 in excellent yield. This complex has been characterised by (IR and B-11 NMR)spectroscopy and X-ray crystallography. Crystals of 2-0.89 CH,Cl,are monoclinic, space group P2(1)/c, with cell dimensions a = 14.073(3), b = 15.640(2), c = 20.262(6) angstrom and beta = 94.80(2)-degrees. A final R factor of 0.038 was calculated for 5595 observed reflections. The Pd-OH2 distance is 2.208(4) angstrom and Pd-P(1) is 2.3544(14) angstrom. Cage interatomic distances include Pd-Te 2.6958(6) and ranges for Pd-B of 2.192(6) 2.299(6)and Te-B of 2.287(6)-2.403(6)angstrom. The exo-cage B(7)-P(2) distance is 1.950(6) angstrom. The water molecule in 2 can be displaced by a variety of ligands to produce the cationic palladatelluraborane complexes [2-L-2-(PPh3)-closo-2,1-PdTeB10H9(PPh3)][BF4][L = CO, CNBu(t), CNC6H11, NCMe, MeCH(Ph)NH2, OC4H8 or SC4H8) in yields ranging from 39 to 93%. Reaction between 2 and a ten-fold excess of PMe2Ph affords [2,2-(PMe2Ph)2-closo-2,1-PdTeB10H9(PPh3)][BF4] in 75% yield. All complexes have been characterised spectroscopically (IR and B-11 NMR) and in the case of [2-(CO)-2-(PPh3)-closo-2,1-PdTeB10H9(PPh3)][BF4] 3 by X-ray crystallography. The 3.C6H5Me solvate crystallises in the monoclinic space group P2(1)/c with Z = 4, a = 14.509(3), b = 10.732(l ), c = 31.377(8) A and beta = 97.49(2)-degrees. The final R factor of 0.054 was calculated from 5439 observed reflections. Principal interatomic distances include Pd-Te 2.6897(9), Pd-B 2.195(10)-2.307(9), Te-B 2.262(11)-2.389(9), Pd-P(2) 2.367(2), B(11)-P(1) 1.941 (9) and Pd-C(1) 2.003(9) angstrom.

  DOI：

  10.1039/dt9930000035