OsHCl(η2-H2)(CO)(P(C6H11)3)2 | 217631-09-9

• 英文名称: OsHCl(η2-H2)(CO)(P(C6H11)3)2
• CAS: 217631-09-9
• 化学式: C₃₇H₆₉ClOOsP₂
• 分子量: 817.555
• InChiKey: HWRIVWDWBCAUTI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  OsHCl(η2-H2)(CO)(P(C6H11)3)2 、 三异丙基膦 以 氘代甲苯 为溶剂， 生成 OsHCl(η2-H2)(CO)(P(C3H7)3)2
  参考文献：
  名称：

  Ligand exchange processes of OsHCl(CO)(L)(PR3)2 (L=vacant, H2, R′CN, O2; R=Cy, i-Pr)

  摘要：

  The reactivity of complexes formed by the addition of O-2, H-2 and R'CN to OsHCl(CO)(PR3)(2) (1a:R = Cy; 1b:R = i-Pr) has been examined. Under 24 bar H-2 and 65 degrees C, the dioxygen ligand of OsHCl(CO)(O-2)(PR3)(2) (2a,b) is displaced to yield the trans-hydridodihydrogen complexes OsHCl(eta(2)-H-2)(CO)(PR3)(2) (3a,b). Measurements of the equilibrium constant, K-H2 = [3a]/[1a][H-2], for the direct addition of H-2 to 1a yield Delta H degrees = -49.1 +/- 2.4 kJ/mol and Delta S degrees = -95.7 +/- 7.9 J/mol K. 1a,b react reversibly with aryl and alkyl nitriles to produce the isolable complexes, OsHCl(CO)(R'CN)(PR3)(2) (4a,b). The phosphine ligands of la,b and 3a,b exchange with unbound, bulky alkyl phosphines at a rate that is slow relative to the NMR timescale. In the presence of excess PCy3, complex 3b yields the exchange products OsHCl(eta(2)-H-2)(CO)(Pi-Pr-3)(PCy3) and 3a. While a tris-phosphine complex cannot be detected, limited kinetic data characterize the exchange as associative process. (C) 1998 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(98)00005-3
• 作为产物：
  描述：

  OsHCl(η2-H2)(CO)(P(C3H7)3)2 、 三环己基膦 以 氘代甲苯 为溶剂， 生成 OsHCl(η2-H2)(CO)(P(C6H11)3)2
  参考文献：
  名称：

  Ligand exchange processes of OsHCl(CO)(L)(PR3)2 (L=vacant, H2, R′CN, O2; R=Cy, i-Pr)

  摘要：

  The reactivity of complexes formed by the addition of O-2, H-2 and R'CN to OsHCl(CO)(PR3)(2) (1a:R = Cy; 1b:R = i-Pr) has been examined. Under 24 bar H-2 and 65 degrees C, the dioxygen ligand of OsHCl(CO)(O-2)(PR3)(2) (2a,b) is displaced to yield the trans-hydridodihydrogen complexes OsHCl(eta(2)-H-2)(CO)(PR3)(2) (3a,b). Measurements of the equilibrium constant, K-H2 = [3a]/[1a][H-2], for the direct addition of H-2 to 1a yield Delta H degrees = -49.1 +/- 2.4 kJ/mol and Delta S degrees = -95.7 +/- 7.9 J/mol K. 1a,b react reversibly with aryl and alkyl nitriles to produce the isolable complexes, OsHCl(CO)(R'CN)(PR3)(2) (4a,b). The phosphine ligands of la,b and 3a,b exchange with unbound, bulky alkyl phosphines at a rate that is slow relative to the NMR timescale. In the presence of excess PCy3, complex 3b yields the exchange products OsHCl(eta(2)-H-2)(CO)(Pi-Pr-3)(PCy3) and 3a. While a tris-phosphine complex cannot be detected, limited kinetic data characterize the exchange as associative process. (C) 1998 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(98)00005-3