bis-hydrido-bis-hydrosulfido-tetrakis-trimethylphosphine-tungsten(IV) | 135481-13-9

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: bis-hydrido-bis-hydrosulfido-tetrakis-trimethylphosphine-tungsten(IV)
• CAS: 135481-13-9
• 化学式: C₁₂H₄₀P₄S₂W
• 分子量: 556.327
• InChiKey: VNBMGNFMXYARDI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  bis-hydrido-bis-hydrosulfido-tetrakis-trimethylphosphine-tungsten(IV) 以 苯 为溶剂， 以97%的产率得到trans-bis-sulfido-tetrakis-trimethylphosphine-tungsten(IV)
  参考文献：
  名称：

  Terminal Sulfido, Selenido, and Tellurido Complexes of Tungsten

  摘要：

  The terminal chalcogenido complexes trans-W(PMe(3))(4)(E)(2) (E = S, Se, Te) have been synthesized by the reactions of W(PMe(3))(4)(eta(2)-CH(2)PMe(2))H With H(2)E (E = S, Se) and elemental Te. W(PMe(3))(4)(Te)(2) is the first example of a transition-metal complex containing a terminal tellurido ligand. Each of the chalcogenido complexes W(PMe(3))4(E)2 reacts reversibly with RCHO to yield the eta(2)-aldehyde derivatives W(PMe(3))(2)(E)(2)(eta(2)-OCHR), although the equilibrium constants vary strongly as a function of the chalcogen, with Ks much greater than Ks, > KTe The Phle3 ligands of W(PMe3)4(S)2 and W(PMe(3))(4)(Te)(2) are readily displaced by Bu(t)NC to give W(PMe(3))(2)(CNBUt)(2)(E)(2). In marked contrast, however, the corresponding reaction of the tellurido derivative W(PMe(3))(4)(Te)(2) with Bu(t)NC results in the unprecedented coupling of the two terminal tellurido ligands, leading to the formation of the eta(2)-ditellurido derivative W(PMe(3))(CNBu(t))(4)(eta(2)-Te-2). Structural and bonding aspects of the terminal chalcogenido complexes have been probed by X-ray diffraction, while Se-77 and Te-125 NMR spectroscopies have identified a linear correlation between Se-77 and Te-125 NMR chemical shifts for structurally analogous selenido and tellurido complexes. W(PMe(3))(4)(S)(2) is monoclinic, P2/n (No. 13), a = 15.914(2) Angstrom, b = 9.682(2) Angstrom, c = 15.926(3) Angstrom, beta = 111.92(2)degrees, Z = 4. W(PMe(3))(4)(Se)(2) is monoclinic, P2/n (No. 13), a = 16.040(5) Angstrom, b = 9.738(2) Angstrom, c = 16.096(3) Angstrom, beta = 113.27(2)degrees, Z = 4, W(PMe(3))(4)(Te)(2) is tetragonal, I<(4)over bar2m> (No. 121), a = b = 9.717(1) Angstrom, c = 12.360(2) Angstrom, Z = 2. W(PMe(3))(4)(Se)H-2 is monoclinic, Cc (No. 9), a = 9.580(2) Angstrom, b = 15.757(3) Angstrom, c = 14.860(3) Angstrom, beta = 98.54(2)degrees, Z = 4. W(PMe(3))(2)(CNBu(t))(2)(S)(2) is monoclinic, P2(1)/n (No. 14), a = 11.003(2) Angstrom, b = 10.513(3) Angstrom, c = 11.947(3) Angstrom, beta = 109.87(2)degrees, Z = 2. W(PMe(3))(2)(CNBu(t))(2)(Se)(2) is monoclinic, P2(1)/n (No. 14), a = 11.147(5) Angstrom, b = 10.617(5) Angstrom, c = 11.973(4) Angstrom, beta = 110.16(3)degrees, Z = 2. W(PMe(3))(2)(Te)(2)(eta(2)-OCH2) is orthorhombic, Pnma (No. 62), a = 10.441(3) Angstrom, b = 11.299(4) Angstrom, c = 13.812(4) Angstrom, Z = 4. W(PMe(3))(2)(S)(2)(eta(2)-OCHPh) is monoclinic, P2(1)/c (No. 14), a 12.561(3) A, b = 8.684(1) Angstrom, c = 18.182(3) Angstrom, beta = 108.57(2)degrees, Z = 4. W(PMe(3))(2)(Se)(2)(eta(2)-OCHPh) is monoclinic, P2(1)/c (No. 14), a = 12.563(5) Angstrom, b = 8.731(4) Angstrom, c = 18.461(6) Angstrom, beta = 109.22(3)degrees, Z = 4. W(PMe(3))(2)(Te)(2)(eta(2)-OCHPh) is monoclinic, P2(1)/n (No. 14), a = 12.661(2) Angstrom, b = 8.931(1) Angstrom, c = 18.779(4) Angstrom, beta = 108.47(2)degrees, Z = 4. W(PMe(3))(CNBu(t))(4)(eta(2)-Te-2) is orthorhombic, Pbca (No. 61), a = 18.097(4) Angstrom, b = 18.978(2) Angstrom, c = 19.741(3) Angstrom, Z = 8.

  DOI：

  10.1021/ic00129a021
• 作为产物：
  描述：

  (tungsten)(triphenylphosphane)4(hydride)(P(CH3)2CH2) 、 硫化氢 以 正戊烷 为溶剂， 以86%的产率得到bis-hydrido-bis-hydrosulfido-tetrakis-trimethylphosphine-tungsten(IV)
  参考文献：
  名称：

  Rabinovich, Daniel; Parkin, Gerard, Journal of the American Chemical Society, 1991, vol. 113, # 15, p. 5904 - 5905

  摘要：

  DOI：