cis-{Mo2(MeCO2)2(MeCN)6}{BF4}2 | 98542-25-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: cis-{Mo2(MeCO2)2(MeCN)6}{BF4}2
• 英文别名: [Mo₂(OAc)₂(MeCN)₆][BF₄]₂
• CAS: 98542-25-7
• 化学式: 2BF₄*6C₂H₃N*2C₂H₃O₂*2Mo
• 分子量: 729.894
• InChiKey: BTBBVENLBGKTOS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.58
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.92
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  cis-{Mo2(MeCO2)2(MeCN)6}{BF4}2 、 2-(2'-pyrrolyl)-[1,8]-naphthyridine 以 乙腈 为溶剂， 以79%的产率得到[Mo2O2Cl2(μ2-O)2(2-(2-pyrrolyl)-1,8-naphthyridine)2]
  参考文献：
  名称：

  Oxidative route to polyoxomolybdates from quadruply bonded [MoIIMoII] precursor: Structural characterization of a tetranuclear cluster [Mo4Cl5O8(pyNP)2] (pyNP=(2-(2-pyridyl)1,8-naphthyridine))

  摘要：

  Aerial oxidation of the quadruply bonded Mo-2(OAc)(4) in the presence of HprNP (2-(2-pyrrolyl)-1,8-naphthyridine) in CH2Cl2 provide the dinuclear oxochloromolybdate [Mo2O2Cl2(mu(2)-O)(2)(HprNP)(2)] (1). The molecular structure of 1 consists of the [Mo2O2Cl2(mu(2)-O)(2)] core with the cisoid Mo=O bonds and each HprNP ligand chelating the Mo center through the naphthyridine unit. An alternate route to access oxomolybdates is to employ quadruply bonded [Re2Cl8](2-) to oxidize cis-[Mo-2(pyNP)(2)(OAC)(2)][BF4](2) (pyNP = 2-(2-pyridyl)1,8-naphthyridine). The isolated compound is the tetranuclear molybdenum cluster [Mo4Cl5O8(pyNP)(2)] (2). The molecular formula of compound 2 is best described as [Mo2Cl3O2(mu(2)-O)(eta(3)-pyNP)][mu(3)-O][Mo2Cl2O2(mu(2)-O)(2)(eta(2) -pyNP)], the fusion of two oxochlorodimolybdates linked through a mu(3)-oxo linkage. The oxidation of the [Mo-coproduct equivalent to Mo-coproduct] unit to highly oxidized oxomolybdates and subsequent dimerization to tetranuclear core offers prospect for accessing new types of oxo-chloro-molybdenum clusters exhibiting interesting structural motifs. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.11.042

文献信息

• How to Make a Major Shift in a Redox Potential:  Ligand Control of the Oxidation State of Dimolybdenum Units
  作者：F. Albert Cotton、Lee M. Daniels、Chun Y. Liu、Carlos A. Murillo、Arthur J. Schultz、Xiaoping Wang

  DOI：10.1021/ic025632w

  日期：2002.8.1

  (Bu(n)()(4)N)(2)H(2)[Mo(2)[Mo(CO)(4)(PhPO(2))(2)](2)] has been reexamined. We find that the hydrogen atoms in this formula are not present. Therefore, the complex must be considered as having a central triply bonded Mo(2)(6+) unit, instead of a quadruply bonded Mo(2)(4+) unit. Our conclusion is based on a variety of experimental evidence, including X-ray crystal structures of four crystal forms, as well

  早先（Polyhedron 1989，8，2339）报道为（Bu（n）（）（4）N）（2）H（2）[Mo（2）[Mo（CO）（4）（PhPO（2）） ）（2）]（2）]已重新检查。我们发现该式中的氢原子不存在。因此，该复合物必须被视为具有中央三键式Mo（2）（6+）单元，而不是四键式Mo（2）（4+）单元。我们的结论基于各种实验证据，包括四种晶形的X射线晶体结构以及一种晶形的中子晶体结构。这就解释了在2.1874（7）-2.2225（7）A范围内发现的相对较长的Mo-Mo键长度以及可见光谱中不存在delta-> delta跃迁的现象。从电化学中我们还发现，二膦酸酯配体具有稳定较高氧化态的出色能力，即使是普通溶剂（例如CH（2）Cl（2）和C（2）H（5）OH）也容易氧化Mo（2）从Mo（2）（O（2）CCH（3））（4）或[Mo（2）（O（2）CCH（3））（2）（NCCH（3） ））（6
• Synthesis, characterization, and polymerization of capped paddlewheel porous cages
  作者：Meaghan M. Deegan、Eric D. Bloch

  DOI：10.1039/d0dt04361c

  日期：——

  strategies for the isolation of metal node-terminated, capped paddlewheel-based cage structures remain limited. We explored the use of chelating dicarboxylate ligand derivates (esp) for the isolation of trimesate-linked cages, Mo12(btc)4(esp)6, that are structural analogs of the small octahedral pore of HKUST-1. The porosity of these novel cages is appreciably higher than that of previously reported

  尽管在永久多孔的金属有机材料中普遍使用基于桨轮的结构，但用于隔离金属节点端接的带帽桨轮笼结构的合适策略仍然受到限制。我们探索了螯合二羧酸酯配体衍生物（esp）的用途，用于分离均苯三酸酯连接的笼子Mo 12（btc）4（esp）6，它们是HKUST-1小八面体孔的结构类似物。这些新颖的笼子的孔隙率明显高于先前报道的这种类型的结构。我们还证明，用DABCO支撑隔离的笼子可生成无定形聚合物，其具有出色的热稳定性和增强的孔隙率。
• Farrugia, Louis J.; McVitie, Andrew; Peacock, Robert D., Inorganic Chemistry, 1988, vol. 27, # 7, p. 1257 - 1260
  作者：Farrugia, Louis J.、McVitie, Andrew、Peacock, Robert D.

  DOI：——

  日期：——