[Ru₂(CO)₄(PPh₃)₂(S₂C₆H₄)] | 159899-10-2

• 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: [Ru₂(CO)₄(PPh₃)₂(S₂C₆H₄)]
• 英文别名: Ru2(μ-benzene-1,2-dithiolate)(CO)4(P(C6H5)3)2；Benzene-1,2-dithiolate;carbon monoxide;ruthenium(1+);triphenylphosphane
• CAS: 159899-10-2
• 化学式: C₄₆H₃₄O₄P₂Ru₂S₂
• 分子量: 978.993
• InChiKey: SLINLLUTGGSMHX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.23
• 重原子数：
  56
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  benzene-1,2-dithiolate 在 Zn 作用下， 以 四氢呋喃 、 乙二醇甲醚 为溶剂， 生成 [Ru₂(CO)₄(PPh₃)₂(S₂C₆H₄)]
  参考文献：
  名称：

  Derivative Chemistry of [Ru2(μ-bdt)(CO)6], a Binuclear Ruthenium(I) Carbonyl Complex Containing a Bridging Benzene-1,2-dithiolate Ligand

  摘要：

  DOI：

  10.1002/(sici)1099-0682(199907)1999:7<1133::aid-ejic1133>3.3.co;2-m

文献信息

• Synthesis and reactivity of hydride-bridged ruthenium dithiolene complexes
  作者：Takuya Sagawa、Satoru Tsukada、Kazuki Yamamoto、Takahiro Gunji

  DOI：10.1016/j.poly.2017.10.023

  日期：2018.1

  Syntheses of two homonuclear hydride complexes, viz. hydride-bridged ruthenium dinuclear complex [Ru(eta(6)-C6Me6)(S2C6H4)RuClH(PPh3)(2)] (3) and dihydride ruthenium dinuclear complex [Ru(eta(6)-C6Me6) (S2C6H4) RuH2(PPh3)(2)] (4), have been described. Complex 4 was obtained as a mixture of cis- and trans-dihydride isomers in a 10:1 M ratio, as indicated by the proton ratio in H-1 NMR spectra. The dinuclear complex 4 reacted with carbon monoxide for 30 min and 1 day under similar conditions to produce dicarbonyl complex [Ru(eta(6)-C6Me6)(S2C6H4)Ru(CO)(2)(PPh3)] (5), and tetracarbonyl complex [Ru-2(CO)(4)(PPh3)(2)(S2C6H4)] (6), respectively. On the other hand, treatment of 4 with carbon dioxide under ambient conditions was found to produce formic acid. (C) 2017 Elsevier Ltd. All rights reserved.
• Facile Syntheses, Isomeric Structures, and Chemical Reactivity of Diruthenium(I) Complexes [Ru2(CO)4(MeCN)4L2]X2 (L = MeCN, PPh3, PPh2(allyl), PMe3; X- = PF6-, BF4-). A Convenient Route to 1,2-Diamides and 1,2-Dithiolates
  作者：Kom-Bei Shiu、Chien-Hsing Li、Tsung-Jung Chan、Shie-Ming Peng、Ming-Chu Cheng、Sue-Lein Wang、Fen-Ling Liao、Michael Y. Chiang

  DOI：10.1021/om00001a071

  日期：1995.1

  Alkylating agents such as Et(3)O(+)X(-) (X(-) = PF6- or BF4-) readily remove the bridging acetate groups of [Ru-2(CO)(4)(O(2)CMe)(2)L(2)] at ambient temperature to give the versatile complexes [Ru-2(CO)(4)(NCMe)(4)L(2)]X(2) (L = MeCN (1), PPh(3) (2), PPh(2)(allyl) (3), and PMe(3)(4)). The crystal structures of 3 and 4 were determined by X-ray crystallography: [3][BF4](2), a = 20.292(6), b = 17.223(7), c = 15.186(3), beta = 113.324(18)degrees, V = 4873(3) Angstrom(3), monoclinic C2/c, Z = 4, refined to R = 0.045, R(w) = 0.048, and GOF = 2.27. [4][BF4](2), a 12.570(4), b = 14.251(5), c 18.773(6) Angstrom, beta = 104.96(3)degrees, V = 3251(9) Angstrom(3), monoclinic P2(1)/n, Z = 4, refined to R = 0.044, R(w) = 0.044, and GOF = 1.53. Although 3 adopts a trans-staggered structure, 4 is in a cis-staggered geometry. The high reactivity of 1-4 is demonstrated via the cation-anion annihilation between 2(2+) and the doubly deprotonated anion, (E-E)(2-), to give [Ru-2(CO)(4)-mu-eta(2),eta(2)-(E-E)}(PPh(3))(2)] ((E-E)(2-) = 1,2-(NH)(2)C6H42- (7); 2,3-(NH)(2)(CH62-)-H-10 (8); 1,2-(NH)(2)-4,5-Cl2C6H22- (9); 1,2-(NH)(2)-4,5-Me(2)C(6)H (2) (10); 9,10-(NH)(2)C14H8 (11); and 1,2-S2C6H42- (12)). The structures of 7-12 were also confirmed by an X-ray single-crystal structure of 12: a 11.155(1), b = 21.302(2), c = 10.183(2) Angstrom, alpha = 93.65(1), beta = 113.43(1), gamma = 101.19(1)degrees, V = 2151.2(6) Angstrom(3), triclinic P ($) over bar 1, Z = 2, refined to R = 0.038, R(w) = 0.046, and GOF = 2.81. The Ru-Ru distances are 2.8647(11) Angstrom in 3, 2.861(1) Angstrom in 4, and 2.6767(5) Angstrom in 12.
• Derivative Chemistry of [Ru2(μ-bdt)(CO)6], a Binuclear Ruthenium(I) Carbonyl Complex Containing a Bridging Benzene-1,2-dithiolate Ligand
  作者：Javier A. Cabeza、M. Angeles Martínez-García、Víctor Riera、Diego Ardura、Santiago García-Granda、Juan F. Van der Maelen

  DOI：10.1002/(sici)1099-0682(199907)1999:7<1133::aid-ejic1133>3.3.co;2-m

  日期：1999.7