[(η5-Cp')3Mo3S4][p-toluenesulfonate] | 351420-47-8

• 英文名称: [(η5-Cp')3Mo3S4][p-toluenesulfonate]
• 英文别名: [(η5-methylcyclopentadienyl)3Mo3S4][p-toluenesulfonate]；[(eta.-5-Cp')3Mo3S4][pts]；((η5-Cp')3Mo3S4)(pts)
• CAS: 351420-47-8
• 化学式: C₇H₇O₃S*C₁₈H₂₁Mo₃S₄
• 分子量: 824.646
• InChiKey: GUJMWDNUCILZSU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  bis(1,5-cyclooctadiene)nickel (0) 、 [(η5-Cp')3Mo3S4][p-toluenesulfonate] 以 四氢呋喃 为溶剂， 生成 [(η5-Cp')3Mo3S4Ni](1+)
  参考文献：
  名称：

  Methylcyclopentadienyl-Substituted Tungsten(IV) Sulfido Cluster [(η⁵-Cp‘)₃W₃S₄]⁺ and Its Heterobimetallic Derivative [(η⁵-Cp‘)₃W₃S₄Ni(PPh₃)]⁺

  摘要：

  The aqueous cluster salt [(H2O)9WS(4)][pts](4). 9H(2)O (pts p-toluenesulfonate) was converted to the methyl-cyclopentadienyl (Cp ') substituted cluster [(eta (5)-Cp ')(3)W3S4][Pts] ([1] [pts]) from which the cubane-like cluster [(eta (5)-Cp ' )W3S4Ni(PPh3)][pts] ([2][pts]) was obtained by reaction with Ni(cod)(2) and PPh3. [2][pts] was characterized by X-ray crystal structure analysis.

  DOI：

  10.1021/ic001194m
• 作为产物：
  描述：

  [(H2O)9Mo3S4][p-toluenesulfonate]4*9H2O 、 methylcyclopentadienylthallium(I) 在 p-toluenesulfonic acid 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 以45%的产率得到[(η5-Cp')3Mo3S4][p-toluenesulfonate]
  参考文献：
  名称：

  Heterobimetallic Cubane-like Cluster Compounds Prepared as the Homologous Series [(η⁵-Cp‘)₃Mo₃S₄M‘(PPh₃)]⁺ (M‘ = Ni, Pd, Pt). Crystal Structures Show that Platinum Is Smaller than Palladium

  摘要：

  Exchange of the aqua ligands in [(H2O)(9)Mo3S4][Pts](4). 9H(2)O for Cp ' ligands (Cp ' = methylcyclopentadienyl; pts = p-toluenesulfonate) yielded the novel cluster salt [(eta (5)-Cp ')(3)-Mo3S4] [Pts] ([1] [pts]). Reactions of [1] [pts] in the presence of triphenylphosphane with [Ni-(cod)(2)] (cod = 1,5-cyclooctadiene) or [Pd-2(dba)(3)] (dba = dibenzylidenacetone) afforded the heterobimetallic cubane-like cluster compounds [(eta (5)-Cp ')(3)Mo3S4M ' (PPh3)][pts] ([2] [pts]: M ' = Ni; [3] [pts]: M ' = Pd). By reaction of [1] [pts] with [Pt(nor)(3)] (nor = 2-norbornene) at ambient temperature [(eta (5)-Cp ')(3)Mo3S4Pt(nor)][pts] ([4][pts]) was isolated and further converted to [(eta (5)-Cp ')(3)Mo3S4Pt(PPh3)] [Pts] ([5][pts]) at 60 degreesC. A P-31{H-1} NMR spectroscopic characterization of [5] [pts] revealed a coupling constant (1)J(PtP) of 6656 Hz, whose size supports the view that the platinum atom is Pt-0- rather than Pt-II-like. Single-crystal X-ray studies of the complete homologous series [2][pts], [3][pts], and [5][pts] demonstrated that the cluster cations are isostructural with M ' -P bond lengths in the order Ni < Pt < Pd.

  DOI：

  10.1021/om010151q

文献信息

• Synthesis of the New, Cubane-like W₃S₄Co Cluster Core. Completion of the Homologous Series [(η⁵-Cp‘)₃M₃S₄Co(CO)] (M = Cr, Mo, W)
  作者：Konrad Herbst、Lutz Dahlenburg、Michael Brorson

  DOI：10.1021/ic049742+

  日期：2004.5.1

  Reaction between the cluster salts [(eta(5)-Cp')(3)M(3)S(4)][pts] (M = Mo, W; Cp' = methylcyclopentadienyl; pts = p-toluenesulfonate) and [Co(2)(CO)(8)] yielded the electroneutral clusters [(eta(5)-Cp')(3)M(3)S(4)Co(CO)]. The molecular structure of [(eta(5)-Cp')(3)W(3)S(4)Co(CO)] was determined by single-crystal X-ray diffraction methods. The unprecedented 60 electron W(3)S(4)Co cluster completes a homologous

  簇盐[（eta（5）-Cp'）（3）M（3）S（4）] [pts]（M = Mo，W; Cp'=甲基环戊二烯基; pts =对甲苯磺酸盐）和[ Co（2）（CO）（8）]产生电子中性簇[[eta（5）-Cp'）（3）M（3）S（4）Co（CO）]。[（eta（5）-Cp'）（3）W（3）S（4）Co（CO）]的分子结构是通过单晶X射线衍射法确定的。前所未有的60电子W（3）S（4）Co团簇完成了一系列异双金属簇[[eta（5）-Cp'）（3）M（3）S（4）Co（CO）]的同源序列= Cr，Mo，W），包含类似古巴的核心图案。
• Herbst, Konrad; Monari, Magda; Brorson, Michael, Inorganic Chemistry, 2002, vol. 41, p. 1335 - 1338
  作者：Herbst, Konrad、Monari, Magda、Brorson, Michael

  DOI：——

  日期：——
• Variation of the electron population by four units in the cluster series [(η5-Cp′)3Mo3S4Co(L)]n+ (L=I, CO, PPh3, NO; n=0, 1)
  作者：Konrad Herbst、Emma Söderhjelm、Ebbe Nordlander、Lutz Dahlenburg、Michael Brorson

  DOI：10.1016/j.ica.2007.01.014

  日期：2007.5

  The versatility of cuboidal Mo3S4Co clusters for the preparation of complexes with different numbers of valence shell electrons (VSE) in the cluster is described. The reaction of the geometrically incomplete cuboidal cluster salt [(eta(5)-Cp')(3)Mo3S4][pts] (pts = p-toluenesulfonate) with one molar equivalent of [Co-2(CO)(8)] afforded almost quantitatively the electroneutral 60 VSE cluster [(eta(5)-Cp')(3)Mo3S4Co(CO)] (1), which previously has been prepared in low yield by Curtis et al. in autoclave syntheses [M.D. Curtis, U. Riaz, O.J. Curnow, J.W. Kampf, Organometallics 14 (1995) 5337]. Cluster 1 was also obtained in high yield by reaction of [(eta(5)-Cp')(3)Mo3S4][pts] with [(eta(5)-Cp*)Co(CO)(2)]. Reaction of [(eta(5)-Cp')(3)Mo3S4][pts] with two molar equivalents of [Co(I)(CO)(3)(PPh3)] led to a complex mixture of products, of which the electron deficient 58 VSE cluster salt [(eta(5)-Cp')(3)Mo3S4Co(I)[Co(I)(3)(thf)] ([2][Co(I)(3)(thf)]) was isolated as single crystals. In the crystal structures of 1 and [2][Co(I)(3)(thf)], the Co-Mo bond lengths are almost identical, indicating a delocalization of the electron deficiency in [2](+). The reduced form of [2](+), [(eta(5)-Cp ')(3)Mo3S4Co(I)] (2), was prepared by oxidative substitution of the carbonyl ligand in 2 by I-2. Further reactions of 2 with PPh3 and NO leading to the 60 and 61 VSE cluster complexes [(eta(5)-Cp')(3)Mo3S4Co(PPh3)](3) and [(eta(5)-Cp')(3)Mo3S4Co(NO)] (4), respectively, enabled the preparation of Mo3S4Co clusters in altogether four different oxidation states. (c) 2007 Elsevier B.V. All rights reserved.
• Facile formation of a heterobimetallic cluster with a cubane-like [Mo3S4Cu]5+ core
  作者：Konrad Herbst、Magda Monari、Michael Brorson

  DOI：10.1016/s0020-1693(03)00497-3

  日期：2004.2

  Reaction of the cluster salt [(eta(5)-Cp')(3)Mo3S4][pts] ([1][pts], Cp' = methylcyclopentadienyl; pts = p-toluenesulfonate) with CuCl yielded a new heterobimetallic cluster, [(eta(5)-Cp')(3)Mo3S4Cu(Cl)][pts] ([2][pts]). X-ray crystal structure determination of [1][pts] and [2][pts] showed that the incorporation of CuCl into the Mo3S4 cluster core has only minor consequences on the Mo-Mo and Mo-S distances. The metal atoms in the cluster core of [2](+) form an almost regular tetrahedron. The [2](+) cation conforms to an idealized C-3nu symmetry ignoring the Cp' groups since the Cu-Cl bond is almost aligned with the axis defined by the Cu-S(4) cube diagonal. (C) 2003 Published by Elsevier B.V.