[(triphos)Rh(η2-H2)H2](1+) | 264624-46-6

• 英文名称: [(triphos)Rh(η2-H2)H2](1+)
• 英文别名: [(triphos)RhH2D2](1+)
• CAS: 264624-46-6
• 化学式: C₄₁H₄₃P₃Rh
• 分子量: 731.619
• InChiKey: OCZQWFFULXLFFC-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：

  RhH3(triphos) 、 氘代三氟乙酸 以 二氯甲烷-D2 为溶剂， 生成 [(triphos)Rh(η2-H2)H2](1+)
  参考文献：
  名称：

  ¹H- and ²H-T₁ Relaxation Behavior of the Rhodium Dihydrogen Complex [(Triphos)Rh(η²-H₂)H₂]⁺

  摘要：

  Protonation of the classical trihydride [(triphos)RhH3] (2) at 210 K in either THF or CH2Cl2 by either HBF4. OMe2 or CF3SO2OH gives the nonclassical eta(2)-H-2 complex [(triphos)Rh(eta(2)-H-2)H-2](+) (1) [triphos = MeC(CH2PPh2)(3)]. Complex 1 is thermally unstable and highly fluxional in solution. In THF above 230 K, 1 transforms into the solvento dihydride complex [(triphos)Rh(eta(1)-THF-d(8))H-2](+) (5) that, at room temperature, quickly converts to the stable dimer trans-[{(triphos)RhH}(2)(mu-H)(2)](2+) (trans-6). In CH2Cl2, 1 is stable up to 240 K. Above this temperature, the eta(2)-H-2 complex begins to convert into a mixture of trans- and cis-6, which, in turn, transform into the bridging chloride dimers trans- and cis-[{(triphos)RhH}(2)(mu-Cl)(2)](2+) at room temperature. Complex 1 contains a fast-spinning H-2 ligand with a T-1min of 38.9 ms in CD2Cl2 (220 K, 400 MHz). An NMR analysis of the bis-deuterated isotopomer [(triphos)RhH2D2](+) (1-d(2)) did not provide a J(HD) value. At 190 K, the perdeuterated isotopomers [(triphos)RhD3] (2-d(3)) and 1-d(4) show T-1min, values of 16.5 and 32.6 ms (76.753 MHZ), respectively, for the rapidly exchanging deuterides. An analogous 2-fold elongation of T-1min, is also observed on going from [(triphos)IrD3] to [(triphos)Ir(eta(2)-D-2)D-2](+). A rationale for the elongation of T-1min, in nonclassical polyhydrides is proposed on the basis of both the results obtained and recent literature reports.

  DOI：

  10.1021/ic990667q