[OsH3(bis(2-aminoethyl)amine)(P(i-Pr)3)2]Cl | 1131183-07-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: [OsH3(bis(2-aminoethyl)amine)(P(i-Pr)3)2]Cl
• CAS: 1131183-07-7
• 化学式: C₁₃H₃₇N₃OsP*Cl
• 分子量: 492.084
• InChiKey: KARDHVLRTJCPHJ-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  tetrafluoroboric acid 、 [OsH3(bis(2-aminoethyl)amine)(P(i-Pr)3)2]Cl 以 乙醚 、 二氯甲烷 为溶剂， 以90%的产率得到[Os(η2-H2)2(bis(2-aminoethyl)amine)(P(i-Pr)3)2](BF4)2
  参考文献：
  名称：

  Monocationic Trihydride and Dicationic Dihydride−Dihydrogen and Bis(dihydrogen) Osmium Complexes Containing Cyclic and Acyclic Triamine Ligands: Influence of the N−Os−N Angles on the Hydrogen−Hydrogen Interactions

  摘要：

  New monocationic trihydride and dicationic dihydride-dihydrogen and bis(dihydrogen) osmium complexes with cyclic and acyclic triamines have been prepared and characterized. The treatment of OsH3Cl((PPr3)-Pr-i)(2) (1) with 1,4,7-triazacyclononane (TACN) in toluene at 60 degrees C affords the monocationic trihydride [OsH3(TACN)((PPr3)-Pr-i)]Cl (2), which reacts with HBF4 to give the dicationic dihydride-dihydrogen [OsH2(TACN)(eta(2)-H-2)((PPr3)-Pr-i)](BF4)(2) (3). Complex 1 also reacts with 1,4,7-triazacyclodecane (TACD) and bis(2-aminoethyl)amine (BAEA). Similarly to TACN, the reaction of 1 with TACD gives a monocationic trihydride derivative [OsH3(TACD)((PPr3)-Pr-i)]Cl (4), which in the presence of HBF4 generates a dicationic dihydride-dihydrogen [OsH2(TACD)(eta(2)-H-2)((PPr3)-Pr-i)](BF4)(2) (5). However, the treatment of 1 with BAEA leads to the monocationic trihydride [OsH3(BAEA)((PPr3)-Pr-i)]Cl (6), which in the presence of HBF4 affords the dicationic bis(dihydrogen) [Os(BAEA)(eta(2)-H-2)(2)((PPr3)-Pr-i)](BF4)(2) (7). The structures of 2-4 and 6 have been determined by X-ray diffraction analysis, and the position of the hydrogen atoms bonded to the metal center was confirmed by density functional theory calculations. The geometries of 2, 4, and 6 have been rationalized as pentagonal bipyramids and their behavior on the basis of the N-meridional-Os-N-meridional angle of the bipyramids.

  DOI：

  10.1021/ic8023259
• 作为产物：
  描述：

  OsH₃Cl(PⁱPr₃)₂ 、 二乙烯三胺 以 甲苯 为溶剂， 以62%的产率得到[OsH3(bis(2-aminoethyl)amine)(P(i-Pr)3)2]Cl
  参考文献：
  名称：

  Monocationic Trihydride and Dicationic Dihydride−Dihydrogen and Bis(dihydrogen) Osmium Complexes Containing Cyclic and Acyclic Triamine Ligands: Influence of the N−Os−N Angles on the Hydrogen−Hydrogen Interactions

  摘要：

  New monocationic trihydride and dicationic dihydride-dihydrogen and bis(dihydrogen) osmium complexes with cyclic and acyclic triamines have been prepared and characterized. The treatment of OsH3Cl((PPr3)-Pr-i)(2) (1) with 1,4,7-triazacyclononane (TACN) in toluene at 60 degrees C affords the monocationic trihydride [OsH3(TACN)((PPr3)-Pr-i)]Cl (2), which reacts with HBF4 to give the dicationic dihydride-dihydrogen [OsH2(TACN)(eta(2)-H-2)((PPr3)-Pr-i)](BF4)(2) (3). Complex 1 also reacts with 1,4,7-triazacyclodecane (TACD) and bis(2-aminoethyl)amine (BAEA). Similarly to TACN, the reaction of 1 with TACD gives a monocationic trihydride derivative [OsH3(TACD)((PPr3)-Pr-i)]Cl (4), which in the presence of HBF4 generates a dicationic dihydride-dihydrogen [OsH2(TACD)(eta(2)-H-2)((PPr3)-Pr-i)](BF4)(2) (5). However, the treatment of 1 with BAEA leads to the monocationic trihydride [OsH3(BAEA)((PPr3)-Pr-i)]Cl (6), which in the presence of HBF4 affords the dicationic bis(dihydrogen) [Os(BAEA)(eta(2)-H-2)(2)((PPr3)-Pr-i)](BF4)(2) (7). The structures of 2-4 and 6 have been determined by X-ray diffraction analysis, and the position of the hydrogen atoms bonded to the metal center was confirmed by density functional theory calculations. The geometries of 2, 4, and 6 have been rationalized as pentagonal bipyramids and their behavior on the basis of the N-meridional-Os-N-meridional angle of the bipyramids.

  DOI：

  10.1021/ic8023259