TpMe2MoVIO2(OPh) | 129238-84-2

• 英文名称: TpMe2MoVIO2(OPh)
• 英文别名: {hydrotris(3,5-dimethyl-1-pyrazolyl)borate}dioxomolybdenum(VI)OPh；Tp^Me2Mo^VIO2(OPh)；(hydrotris(3,5-dimethylpylpyrazolyl)borate)MoO2(OPh)；Tp*MoO2(OPh)
• CAS: 129238-84-2
• 化学式: C₂₁H₂₇BMoN₆O₃
• 分子量: 518.235
• InChiKey: ZAACHAKCRBREGN-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：

  TpMe2MoVIO2(OPh) 在 triethylphosphine 作用下， 以 甲苯 为溶剂， 以85%的产率得到{hydrotris(3,5-dimethyl-1-pyrazolyl)borate}dimolybdenum(V)(OPh)2
  参考文献：
  名称：

  Mo（VI）和Mo（V）三吡唑基硼酸酯配合物的原子转移化学和电化学行为：新的单核和双核物种

  摘要：

  Tp P r MoO 2 Cl（Tp P r =氢三（3-异丙基吡唑基）硼酸酯）与苯酚/ NEt 3或硫醇/ NEt 3混合物的复分解导致形成空气稳定的抗磁性顺式-二氧代-Mo（VI）配合物，Tp P r MoO 2 X（X = OC 6 H 4 sBu-2，OC 6 H 4 R-3（R = Me，t Bu），OC 6 H 4 R-4（R = Br，Et，OMe ），OC 6 H 3'Bu 2 -3,5，OC 6 H 3'BuMe-2,4，S n Bu，S s Bu）。通过支持制剂的分析，光谱和质谱法对复合物进行表征，这些配体支持存在的配体[IR：v（MoO 2）约930和900 cm-1，v（BH）2570-2480 cm-1，OAr 1605- 1500和1300-1250 cm-1]，并分配了分子对称性（1 H / 1 3 C NMR）。电化学研究显示可逆或准可逆（X = OC 6 H

  DOI：

  10.1016/s0020-1693(02)01105-2
• 作为产物：
  描述：

  三(3,5-二甲基-1-吡唑基)硼氢化钾 在 (C₂H₅)3N 、 C₆H₅OH 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 TpMe2MoVIO2(OPh)
  参考文献：
  名称：

  Roberts, Sue A.; Young, Charles G.; Kipke, Cary A., Inorganic Chemistry, 1990, vol. 29, # 19, p. 3650 - 3656

  摘要：

  DOI：

文献信息

• Quantitation of the ligand effect in oxo-transfer reactions of dioxo-Mo(<scp>vi</scp>) trispyrazolyl borate complexes
  作者：Partha Basu、Brian W. Kail、Andrew K. Adams、Victor N. Nemykin

  DOI：10.1039/c2dt32349d

  日期：——

  these reactions proceed via the formation of a phosphoryl intermediate complex that undergoes a solvolysis reaction. We report the synthesis and characterization of several phosphoryl complexes. The rates of formation of phosphoryl complexes and their solvation were determined by spectrophotometry. The rates of the reactions and the properties of the phosphoryl species were investigated using the Quantitative

  硼酸氢化三(3,5-二甲基吡唑基)硼酸酯(氢化三(3,5-二甲基吡唑基)硼酸酯，Tp Me2；氢化三(3-异丙基吡唑-1-基)硼酸酯，Tp i Pr )的二氧-Mo( VI )配合物的氧原子转移反应性(OAT )与叔膦（PME 3，PME 2 PH，PET 3，PET 2 PH，PBU ñ 3，PMePh 2，或PEtPh 2）进行了研究。在乙腈，这些反应通过形成磷酸中间体复合物进行，该复合物经历溶剂分解反应。我们报告了几种磷酰配合物的合成和表征。通过分光光度法测定磷酰配合物的形成速率及其溶剂化。使用配体效应定量分析 (QALE) 方法研究反应速率和磷酰基物质的性质。结果表明，至少在该系统中，反应的第一步主要受空间因子控制，而在第二步中，电子和空间因子都很重要。我们还分析了配体对反应速率的影响，即Tp Me2与Tp i公关。
• Dioxomolybdenum(VI) Complexes of Tripodal Nitrogen-Donor Ligands: Syntheses and Spectroscopic, Structural, and Electrochemical Studies, Including the Generation of EPR-Active Molybdenum(V) Species in Solution
  作者：Zhiguang Xiao、Michael A. Bruck、Colleen Doyle、John H. Enemark、Carina Grittini、Robert W. Gable、Anthony G. Wedd、Charles G. Young

  DOI：10.1021/ic00128a005

  日期：1995.11

  The dioxo-Mo(VI) complexes LMoO(2)X [L = hydrotris(3,5-dimethylpyrazol-1-yl)borate (L(a)), hydrotris(3-isopropylpyrazol-1-yl)borate (L(b)), hydrotris(3,5-dimethyl-1,2,4-triazol-1-yl)borate (L(c)); X = Cl, Br, NCS, OMe, Oft, OPh, SPri, SPh, SCH(2)Ph] have been synthesized and characterized by spectroscopic and structural methods. The infrared spectra of the complexes exhibit nu(MoO2) bands at 940-920 and 910-890 cm(-1), and the H-1 NMR spectra are indicative of molecular C-s symmetry in solution. The X-ray crystal structures of three complexes are reported. L(a)MoO(2)(SPh): monoclinic space group P2(1)/c, a = 18.265(6) Angstrom, b = 8.110(3) Angstrom, c = 18.299(3) Angstrom, beta = 117.06(2)degrees, V = 2414(1) Angstrom(3) with Z = 4. L(b)MoO2(OMe): monoclinic space group C2/c, a = 30.365(4) Angstrom, beta = 8.373(1) Angstrom, c = 19.646(2) Angstrom, beta = 113.28(1)degrees, V = 4588(1) Angstrom(3) with Z = 8. L(c)MoO(2)(SPh): orthorhombic space group P2(1)2(1)2(1), a = 7.9302(13) Angstrom, b = 16.627(2) Angstrom, c = 17.543(2) Angstrom, V = 2313.1(9) Angstrom(3) with Z = 4. The structures were refined by full-matrix least-squares procedures to R values of 0.043, 0.027, and 0.039, respectively. The mononuclear complexes feature facially tridentate N-donor ligands, mutually cis oxo and X ligands, and distorted octahedral geometries, The alkoxy and thiolate complexes undergo a reversible, one-electron reduction to form the corresponding dioxo-Mo(V) anions [LMo(V)O(2)X](-). The requirements for reversible, one-electron electrochemical reduction of dioxo-Mo(VI) complexes appear to be (i) minimal conformational change, restricting substitution trans to the oxo groups, upon reduction and (ii) a steric or electrostatic barrier to the close approach and dinucleation of the reduced species. A number of oxo-hydroxo-Mo(V) complexes of the type LMo(V)O-(OH)X were generated by protonation of the anions [LMo(V)O2X](-). Chemical reduction by Bu(4)(n)NSH results in the sequential generation of [LMo(V)O(2)X](-) and [LMo(V)O(2)X](-) anions (except for X = OPh, SPh, and SPri, when only [LMo(V)O(2)X](-) is formed). The Mo(V) complexes have been characterized by EPR spectroscopy.