[RuH(Cl)(1,3-bis(diphenylphosphino)propane)2] | 60879-59-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [RuH(Cl)(1,3-bis(diphenylphosphino)propane)2]
• 英文别名: trans-chlorohydrido-di-1,3-bis(diphenylphosphino)propaneruthenium(II)；trans-[RuH(Cl)(PPh2(CH2)3PPh2)2]；trans-[RuHCl(dppp)2]；trans-HRuCl[Ph2P(CH2)3PPh2]2；chloro(hydrido)ruthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane
• CAS: 60879-59-6
• 化学式: C₅₄H₅₃ClP₄Ru
• 分子量: 962.433
• InChiKey: CEQYIZZNVFSFTH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  60.0
• 可旋转键数：
  8.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  [RuH(Cl)(1,3-bis(diphenylphosphino)propane)2] 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Electrochemical formation and X-ray structure of the five-coordinated ruthenium(II) [RuCl(dppp)2](PF6) complex

  摘要：

  The electrochemical oxidation of trans-chlorohydrido-di-1,3-bis(diphenylphosphino)propaneruthenium(II), [HRua(dPPP)2], Was StUdied at a platinum electrode in dichloromethane containing 0.1 mol/l tetrabutylammonium perchlorate (TBAP). The cyclic voltammogram shows two one-electron oxidation waves corresponding to the formation of Ru(III) and Ru(IV) species. To account for this observation and considering that the pH of the solution decreases during the experiment, an internal reduction of Ru(IV) to Ru(II) is proposed generating the five-coordinated [RuCl(dPPP)2]+ species. The X-ray structure of the [RuCl(dPPP)2](PF6) complex, recrystallized from dichloromethane/diethyl ether was determined and found to have, approximate C2nu symmetry about the metal center.

  DOI：

  10.1016/s0020-1693(00)81656-4
• 作为产物：
  描述：

  HRuCl(PPh3)3 * N,N-dimethylacetamide 、 1,3-双(二苯基膦)丙烷 以 正己烷 为溶剂， 生成 [RuH(Cl)(1,3-bis(diphenylphosphino)propane)2]
  参考文献：
  名称：

  Hydrido-ditertiary phosphine, -arsine, and -chiral phosphine complexes of ruthenium(II)

  摘要：

  DOI：

  10.1016/s0020-1693(00)91115-0

文献信息

• Formation of Ammonia in the Reactions of a Tungsten Dinitrogen with Ruthenium Dihydrogen Complexes under Mild Reaction Conditions¹
  作者：Yoshiaki Nishibayashi、Shin Takemoto、Shotaro Iwai、Masanobu Hidai

  DOI：10.1021/ic000799f

  日期：2000.12.1

  trans-[RuHCl(dppp)2] (6). Free NH3 in 9-16% yields was observed in the reaction mixture, and further NH3 in 36-45% yields was released after base distillation. Detailed studies on the reaction of 5 with numerous Ru(eta 2-H2) complexes showed that the yield of NH3 produced critically depended upon the pKa value of the employed Ru(eta 2-H2) complexes. When 5 was treated with 10 equiv of trans-[RuCl(eta 2-H2)(dppe)2]X

  用反式-[RuCl（eta 2-H2）（dppp）2] X（3）（pKa = 4.4）和[RuCl（[2]）的平衡混合物处理顺-[W（N2）2（PMe2Ph）4]（5） dppp）2] X（4）[X = PF6，BF4或OTf；dppp = 1,3-双（二苯基膦基）丙烷]，在55℃，1 atm大气压的H2下，于苯二氯乙烷中含有10当量的基于钨的Ru原子，历时24 h，得到的NH3的总收率基于钨的45-55％ ，以及反式-[RuHCl（dppp）2]（6）的形成。在反应混合物中观察到游离NH 3的产率为9-16％，并且在碱蒸馏后进一步释放NH 3的产率为36-45％。对5与许多Ru（eta 2-H2）配合物的反应进行的详细研究表明，生成的NH3的产率关键取决于所用Ru（eta 2-H2）配合物的pKa值。当用10当量的反式[RuCl（eta 2-H2）（dppe）2] X（8）处理pKa =
• Heterolytic H₂ Activation by Dihydrogen Complexes. Effects of the Ligand X in [M(X)H₂{Ph₂P(CH₂)₃PPh₂}₂]<i>ⁿ</i>⁺ (M = Ru, Os; X = CO, Cl, H)
  作者：Eliana Rocchini、Antonio Mezzetti、Heinz Rüegger、Urs Burckhardt、Volker Gramlich、Alessandro Del Zotto、Paolo Martinuzzi、Pierluigi Rigo

  DOI：10.1021/ic9605579

  日期：1997.2.12

  Complexes of the general formula [MXH(2)(dppp)(2)](n+) (M=Ru, Os; X=H, Cl, CO; dppp=1,3-bis (diphenylphosphino)propane) have been prepared and characterized, and the effect of the donor/acceptor properties of X on their structure and acidity has been studied. The five-coordinate complexes [MCl(dppp)(2)](+) (M=Ru (1a), Os (1b)) react with H-2 gas in CH2Cl2 to give the complexes [MCl(eta(2)-H-2)(dppp)(2)](+) (M=Ru (2a), Os (2b)) containing elongated dihydrogen ligands. The molecular structure of 2b has been determined by X-ray crystallography (monoclinic, space group P2(1)/n with a=13.314(7) Angstrom, b=18.63(2) Angstrom, c=23.20(2) Angstrom, beta=94.58(6)degrees, and Z=4). Chlorohydride [OsH(Cl)(dppp)(2)] (3b) reacts with H-2 gas in the presence of Na[BPh(4)] forming [OsH3(dppp)(2)](+) (4b). Protonation of [OsH2(dppp)(2)] (5b) with HBF4 . Et(2)O also gives 4b. A combination of X-ray crystallography (monoclinic, space group P2(1)/n with a=13.392(3) Angstrom, b=25.306(7) Angstrom, c=21.247(7) Angstrom, beta=91.15(2)degrees, and Z=4) and H-1 and P-31 NMR studies indicate that 4b is a classical trihydride. Hydridocarbonyls [MH(CO)(dppp)(2)](+) (M=Ru (6a), Os (6b)) are protonated by F3CSO3H in CD2Cl2 to yield [M(CO)(eta(2)-H-2)(dppp)(2)](2+) (M=Ru (7a), Os (7b)), which were characterized in solution. 7a is stable only at low temperature. Compound 7b is a highly acidic dihydrogen complex with an estimated pK(a) of -6.
• 10.1039/b0056871
  作者：Rocchini, Eliana、Rigo, Pierluigi、Mezzetti, Antonio、Stephan, Tim、Morris, Robert H.、Lough, Alan J.、Forde, Cameron E.、Fong, Tina P.、Drouin, Samantha D.

  DOI：10.1039/b0056871

  日期：——
• Briggs, Josie C.; McAuliffe, Charles A.; Dyer, Geoffrey, Journal of the Chemical Society, Dalton Transactions, 1984, p. 423 - 428
  作者：Briggs, Josie C.、McAuliffe, Charles A.、Dyer, Geoffrey

  DOI：——

  日期：——