[Os(H)2(OTf)(P(i-Pr)3)2(η2-PhCCH)][OTf] | 1032165-32-4

• 英文名称: [Os(H)2(OTf)(P(i-Pr)3)2(η2-PhCCH)][OTf]
• CAS: 1032165-32-4
• 化学式: CF₃O₃S*C₂₇H₅₀F₃O₃OsP₂S
• 分子量: 912.971
• InChiKey: ZSQSUWWYJWFXBX-UHFFFAOYSA-L

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：

  [Os(H)2Cl(P(i-Pr)3)2(η2-PhCCH)][OTf] 在 MeI 作用下， 以 苯 为溶剂， 生成 [Os(H)2(OTf)(P(i-Pr)3)2(η2-PhCCH)][OTf]
  参考文献：
  名称：

  Mechanism of alkyne conversion to carbyne by 14- or 16-electron Os(H)2ClL2X (L=PiPr3; X=OTf or B(C6H3(CF3)2)4)

  摘要：

  The mechanism of conversion of terminal alkynes RC CH to coordinated carbyne Os CCH(2)R by Os(H)(2)ClXL(2) (L = P(i)Pr(3)) has been studied for X = OTf and BAr(4)(F) (Ar(F) = 3,5-di(CF(3))(2)(C(6)H(3)). Ready loss of these X makes possible detection of eta(2)-RCCH (4-electron donor) and =CH(CH(2)R) intermediates, and D-labeling (RCCD) gives OsDClX(CCH(2)R)L(2). The energy of various intermediates, including the only experimentally unobserved one, eta(2)-vinyl, was evaluated with DFT(PBE) calculations. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.07.031