Mo₆I₁₂ | 12175-58-5

• 分子结构分类: 无机化合物
• 英文名称: Mo₆I₁₂
• CAS: 12175-58-5
• 化学式: I₁₂Mo₆
• 分子量: 2098.49
• InChiKey: OGJAYTLYTGOOKP-UHFFFAOYSA-B

计算性质

• 辛醇/水分配系数(LogP)：
  -35.97
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  Mo₆I₁₂ 、 sodium methylate 以 甲醇 为溶剂， 反应 72.0h， 以92%的产率得到Na₂[Mo₆I₈(MeO)₆]
  参考文献：
  名称：

  芘和蒽羧酸盐的六钼簇配合物：具有天线效应的超亮红色发射体

  摘要：

  磷光染料，例如环金属化 Ir 或 Rucomplexes 或金属卟啉，具有适合制造各种光敏材料的特性。它们的激发单线态通过重原子的存在促进有效的系统间交叉转化为三线态。通过磷光或能量转移到氧气中形成的三重态的弛豫预先决定了这些染料在各种应用中的使用，例如 PHOLED、

  DOI：

  10.1002/ejic.201402076

文献信息

• Water-soluble octahedral molybdenum cluster compounds Na2[Mo6I8(N3)6] and Na2[Mo6I8(NCS)6]: Syntheses, luminescence, and in vitro studies
  作者：Kaplan Kirakci、Pavel Kubát、Monika Kučeráková、Václav Šícha、Helena Gbelcová、Petra Lovecká、Petra Grznárová、Tomáš Ruml、Kamil Lang

  DOI：10.1016/j.ica.2015.10.043

  日期：2016.2

  The octahedral molybdenum cluster compounds Na-2[Mo6I8(N-3)(6)] and Na-2[Mo6I8(NCS)(6)] were synthesized and their luminescent properties and biological activity were investigated. Most molybdenum cluster compounds reported so far have had low solubility in water and/or underwent hydrolysis connected with aggregation, sedimentation, and diminishing luminescence and singlet oxygen-sensitizing properties. This behavior prevented the investigation of their photophysical properties and in vitro biological activities in aqueous media. Title compounds behave differently. They are well soluble in water and have red luminescence, which is quenched by oxygen to produce singlet oxygen, O-2((1)Delta(g)), in high quantum yields. Even though [Mo6I8(N-3)(6)](2) and [Mo6I8(NCS)(6)](2) gradually hydrolyze to mono-hydroxy derivatives, they do not form sedimenting aggregates, luminescence properties are well-defined, and the quantum yields of O-2((1)Delta(g)) remain unchanged. These attractive features, suitable for luminescent probes or O-2((1)Delta(g)) sensitizers in living cells, are overshadowed by the toxicity, especially of [Mo6I8(NCS)(6)](2), and by the limited uptake by the HeLa and HEK 293T cell lines. (C) 2015 Elsevier B.V. All rights reserved.
• Preparation of tetrabutylammonium octa-μ3-bromohexa(trifluoromethanesulfonato)octahedro-hexamolybdate (2−), (Bu4N)2[Mo6Br8i(CF3SO3)6a] and other derivatives containing the Mo6Br84+ core
  作者：Steven M. Malinak、Laura K. Madden、Heather A. Bullen、Jennifer J. McLeod、Dennis C. Gaswick

  DOI：10.1016/s0020-1693(98)00027-9

  日期：1998.9

  The compound (Bu4N)(2)[Mo6Br8i(CF3SO3)(6)(a)] (2), is prepared by the reaction of (Bu4N)(2)[Mo6Br8i(Br)(6)(a)] (1) and AgCF3SO3 in CH2Cl2. The triflate ligands, CF3SO3-, in compound 2 are readily substituted by other ligands, and convenient routes are reported for the preparation of the clusters [Mo6Br8i(X)(6)(a)](2-) where X = CF3CO2, SCN, NCO, Cl, Br and I. The preparation of the cationic cluster, [Mo6Br8i(Ph3PO)(6)(a)](4+), is also reported. The clusters were characterized by IR, UV-Vis, fluorescence and FAB mass spectrometry. (C) 1998 Elsevier Science S.A. All rights reserved.