mer-[MoBr3(pyridine)3] | 14551-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: mer-[MoBr3(pyridine)3]
• 英文别名: mer-[Mo(pyridine)3Br3]；mer-[MoBr3py3]；pyridine;tribromomolybdenum
• CAS: 14551-81-6；39210-29-2
• 化学式: C₁₅H₁₅Br₃MoN₃
• 分子量: 572.956
• InChiKey: DNQZYLYGUUFLRU-UHFFFAOYSA-K

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：
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• 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：

  mer-[MoBr3(pyridine)3] 、 氢氟酸 23.0 ℃ 、100.0 MPa 条件下， 反应 100.0h， 生成 (pyH)2[Mo₂O₄F₆]
  参考文献：
  名称：

  Synthesis and crystal structures of (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6]; vibrational band assignment for [Mo2O4F6]2− anion

  摘要：

  The two closely related compounds (pyH)(2)[Mo2O4F6] and (pipH(2))[Mo2O4F6], (Py = Pyridine, pip = piperazine), were synthesized by the reaction of MoBr3Py3 and [Mo(CO)(5)](2)pip with anhydrous HF in a FEP (fluorinated ethylene propylene) reaction vessel. The presence of traces of water resulted in the formation of oxyfluorides. (pyH)(2)[Mo2O4F6] and (pipH(2))[Mo2O4F6]were characterized by X-ray diffraction and Raman spectroscopy. Geometry of the anion [Mo2O4F6](2-) was optimized using DFT/B3LYP with cc-PVDZ basis set and the interpretation of the measured Raman spectra was offered based on normal modes of calculated spectrum. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2013.10.012
• 作为产物：
  描述：

  tetramethylammonium pentabromopyridinemolybdate(III) 在 pyridine 作用下， 以 not given 为溶剂， 生成 mer-[MoBr3(pyridine)3]
  参考文献：
  名称：

  Synthesis and identification of pentachloropyridinemolybdate(III) and pentabromopyridinemolybdate(III): crystal structures of [NH2(CH3)2]2[MopyCl5] and [N(CH3)4]2[MopyCl5] (py = pyridine)

  摘要：

  The first reaction product between (pyH)(3)[MoX(6)] (X=Cl,Br) and diluted pyridine at 20 degrees C or lower is (pyH)(2)[MopyX(5)]. M(2)(I)[MopyX(5)] with different cations (M(I)=NH2(CH3)(2)(+), N(CH3)(4)(+) and others) can be prepared from concentrated aqueous ammonia solutions of (pyH)(2)[MopyX(5)]. M(2)(I)[MopyX(5)] reacts further with pyridine; depending on the reaction conditions the products are cis- or trans-M(I)[Mopy(2)X(4)] or mer-Mopy(3)X(3) (X=Cl,Br). The compounds were characterised by chemical analysis, infrared spectroscopy, conductivity measurements, magnetic measurements at room temperature, and X-ray powder diffraction, and two of them-[NH2(CH3)(2)](2)[MopyCl(5)] (A) and [N(CH3)(4)](2)[MopyCl(5)] (B)-were characterised by single-crystal X-ray analysis. A and B crystallize in the monoclinic C2/c space group, with Z=4. Molybdenum is octahedrally coordinated by 5 chlorine atoms and pyridine. The average Mo-Cl and Mo-N(pyridine) distances are 2.44(1) and 2.20(1) Angstrom.

  DOI：

  10.1016/0020-1693(94)04275-z

文献信息

• Room Temperature Synthesis and Crystal Structure of<i>mer</i>-[MoBr₃Py₃], the Vibrational Spectra of<i>mer</i>-[MoBr₃Py₃],<i>mer</i>-[MoI₃Py₃] and<i>trans</i>,<i>trans</i>-[MoBr₂Py₄][MoBr₄Py₂]
  作者：Gleb Veryasov、Evgeny Goreshnik、Adolf Jesih

  DOI：10.1002/zaac.201300122

  日期：2013.5

  pyridine at room temperature provided single crystals of mer-[MoX3Py3]. mer-[MoBr3Py3] crystallizes in P21/n monoclinic space group with cell dimensions a = 9.2297(5) A, b = 12.911(8) A, c = 15.7022(9) A and β = 90.479(3)°. There are four formula units in a unit cell. Mo–N distances are in the range 2.196(8)–2.214(8) A and Mo–Br distances are 2.573(1) A and 2.574(1) A. Fundamental vibrational frequencies

  MoBr3 和吡啶在室温下的反应提供了 mer-[MoX3Py3] 的单晶。mer-[MoBr3Py3] 在 P21/n 单斜空间群中结晶，晶胞尺寸 a = 9.2297(5) A, b = 12.911(8) A, c = 15.7022(9) A 和 β = 90.479(3)°。一个单元格中有四个公式单元。Mo–N 距离在 2.196(8)–2.214(8) A 范围内，Mo–Br 距离在 2.573(1) A 和 2.574(1) A 范围内。吡啶分子的基本振动频率在所有这三种情况下都受到严重影响配位化合物：mer-[MoBr3Py3], mer-[MoI3Py3] 和 trans,trans-[MoBr2Py4][MoBr4Py2]。
• Brencic, J. V.; Ceh, B.; Leban, I., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Brencic, J. V.、Ceh, B.、Leban, I.

  DOI：——

  日期：——
• Brencic; Golic; Leban, Zeitschrift fur Anorganische und Allgemeine Chemie, 1996, vol. 622, # 12, p. 2124 - 2128
  作者：Brencic、Golic、Leban、Rotar、Sieler

  DOI：——

  日期：——