[tris(diphenylphosphino)borate]thallium | 388110-49-4

• 英文名称: [tris(diphenylphosphino)borate]thallium
• CAS: 388110-49-4
• 化学式: C₄₅H₄₁BP₃Tl
• 分子量: 889.936
• InChiKey: TVKHHPASXDKDFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.98
• 重原子数：
  50.0
• 可旋转键数：
  13.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

文献信息

• The Coordination Chemistry of “[BP₃]NiX” Platforms:  Targeting Low-Valent Nickel Sources as Promising Candidates to L₃NiE and L₃Ni⋮E Linkages
  作者：Cora E. MacBeth、J. Christopher Thomas、Theodore A. Betley、Jonas C. Peters

  DOI：10.1021/ic049936p

  日期：2004.7.1

  electron-releasing, monoanionic tris(phosphino)borate ligands [PhBP3] and [PhBPiPr3] ([PhBP3] = [PhB(CH2PPh2)3]-, [PhBPiPr3] = [PhB(CH2PiPr2)3]-) have been synthesized to explore fundamental aspects of their coordination chemistry. The pseudotetrahedral, divalent halide complexes [PhBP3]NiCl (1), [PhBP3]NiI (2), and [PhBPiPr3]NiCl (3) were prepared by the metalation of [PhBP3]Tl or [PhBPiPr3]Tl with (Ph3P)2NiCl2, NiI2

  由释放电子的单阴离子三（膦）硼酸酯配体[PhBP3]和[PhBPiPr3]（[PhBP3] = [PhB（CH2PPh2）3]-，[PhBPiPr3] = [PhB（CH2PiPr2）3]-）已合成，以探讨其配位化学的基本方面。伪四面体二价卤化物配合物[PhBP3] NiCl（1），[PhBP3] NiI（2）和[PhBPiPr3] NiCl（3）是通过[PhBP3] Tl或[PhBPiPr3] Tl与（Ph3P）2NiCl2的金属化制备的，NiI2和（DME）NiCl2（DME = 1,2-二甲氧基乙烷）。配合物1是可通过取代反应访问的一系列配合物的多用途前体，包括[PhBP3] Ni（N3）（4），[PhBP3] Ni（OSiPh3）（5），[PhBP3] Ni（Op-tBu-Ph）（ 6）和[PhBP3] Ni（Sp-tBu-Ph）（7）。配合物2-5和7已经通过X射线衍射（XRD）
• Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)₃ units at the borate phenyl substituent
  作者：Paul J. Fischer、Alexander B. Weberg、Trent D. Bohrmann、Hanyue Xu、Victor G. Young

  DOI：10.1039/c4dt03857f

  日期：——

  addition products analogous to those of M(CO)3(triphos). A new bi-functional role for PhBP3 was investigated via the synthesis of seven structurally characterized bimetallics in which zerovalent M(CO)3 and monovalent [Mn(CO)3]+ fragments bind the three phosphine atoms and the borate phenyl substituent. IR ν(CO) data support modest attenuation of PhBP3 donor ability at phosphorus upon η6-phenyl substituent

  一系列三（二苯基膦基甲基）苯基硼酸酯（[PhB（CH 2 PPh 2）3 ] -，PhBP 3）的d 6金属配合物，包括[Et 4 N] [M（CO）3（PhBP 3）]（M = Cr，Mo，W），第VI族金属三（膦）硼酸盐配合物和两性离子Mn（CO）3（PhBP 3）均已合成并充分表征。对[Et 4 N] [M（CO）3（PhBP 3）]的IRν（CO）数据的分析表明，PhBP 3零价M（CO）3片段的捐献强度远不及Tp ；PhBP 3在该系统中不像其对阳离子金属碎片的作用那样起强力供给的蝎子酸盐的作用，这表明PhBP 3可能不能作为氢三（1-吡唑基）硼酸盐对零价金属的有效替代物。而的金属中心[等4 N] [M（CO）3（PhBP 3）]是非常有可能的富电子仍然超过那些M（CO）的3（三磷酸），的[等阴离子4 N] [ M（CO）3（PhBP 3）]没有提供类似于M（CO）3（triph
• Elucidation of a Low Spin Cobalt(II) System in a Distorted Tetrahedral Geometry
  作者：David M. Jenkins、Angel J. Di Bilio、Matthew J. Allen、Theodore A. Betley、Jonas C. Peters

  DOI：10.1021/ja026433e

  日期：2002.12.1

  characterized for comparison to complexes 1, 2, and 3. Our data for these complexes collectively suggest that the [PhBP(3)] ligand provides an unusually strong ligand-field to these divalent cobalt complexes that is chemically distinct from typical tris(phosphine) donor ligand sets, and distinct from tridentate borato ligands that have been previously studied. Coupling this strong ligand-field with a

  我们制备了一系列由 [PhBP(3)] 配体支持的二价钴 (II) 配合物 ([PhBP(3)] = [PhB(CH(2)PPh(2))(3)](-))探索由这种强场引起的某些结构和电子现象，阴离子三（膦）供体配体。复合物 [PhBP(3)]CoI (1) 的固态结构，伴随着 SQUID、EPR 和光学数据，表明它是一种假四面体钴 (II) 物质，具有双基态 - 它的第一个类型。据我们所知，之前所有具有双基态的 4 配位钴 (II) 配合物的例子都采用方形平面结构类型。配合物 1 为相应的溴化物和氯化物配合物 ([PhBP(3)]Co(mu-Br))(2)、(2) 和 ([PhBP(3)]Co(mu-Cl) 提供了有用的前体)(2)、(3)。这些复合物的特征相似，并显示为固态二聚体。然而，在溶液中，2 和 3 的单体低自旋形式在 25 摄氏度时占主导地位。 有光谱证据表明复合物 3 的溶液
• The Strong-Field Tripodal Phosphine Donor, [PhB(CH₂PⁱPr₂)₃]^-, Provides Access to Electronically and Coordinatively Unsaturated Transition Metal Complexes
  作者：Theodore A. Betley、Jonas C. Peters

  DOI：10.1021/ic0343096

  日期：2003.8.1

  This paper introduces a sterically encumbered, strong-field tris(diisopropylphosphino)borate ligand, [PhBp(3)(iPr)] ([PhBP3iPr] = [PhB((CH2PPr2)-Pr-i)(3)](-)), to probe aspects of its conformational and electronic characteristics within a host of complexes. To this end, the TI(I) complex, [PhBP3iPr]TI (1), was synthesized and characterized in the solid-state by X-ray diffraction analysis. This precursor proves to be an effective transmetallating agent, as evidenced by its reaction with the divalent halides FeCl2 and CoX2 (X = Cl, 1) to produce the monomeric, 4-coordinate, high-spin derivatives [PhBP3iPr]FeCl (2) and [PhBP3iPr]CoX (X = Cl (3), 1 (4)) in good yield. Complexes 2-4 were each characterized by X-ray diffraction analysis and shown to be monomeric in the solid-state. For conformational and electronic comparison within a system exhibiting higher than 4-coordination, the 16-electron ruthenium complexes [PhBP3iPr]Ru(mu-Cl)}(2) (5) and [PhBP3]Ru(mu-Cl)}(2) (6) were prepared and characterized ([PhBP3] = [PhB(CH2PPh2)(3)](-)). The chloride complexes 2 and 3 reacted with excess CO to afford the divalent, monocarbonyl adducts [PhBP3iPr]- FeCl(CO) (7) and [PhBP3iPr]CoCl(CO) (8), respectively. Reaction of 4 with excess CO resulted in the monovalent, dicarbonyl product [PhBP3iPr]Co-I(CO)(2) (9). Complexes 5 and 6 also bound CO readily, providing the octahedral, 18-electron complexes [PhBP3iPr]RuCl(CO)(2) (10) and [PhBP3]RuCl(CO)(2) (11), respectively. Dimers 5 and 6 were broken up by reaction with trimethylphosphine to produce the mono-PMe3 adducts [PhBP3iPr]RuCl(PMe3) (12) and [PhBP3]RuCl(PMe3) (13). Stoichiometric oxidation of 3 with dioxygen provided the 4-electron oxidation product [PhB(CH2P(O)Pr-i(2))(2)((CH2PPr2)-Pr-i)]CoCl (14), while exposure of 3 to excess oxygen results in the 6-electron oxidation product [PhB(CH2P(O)Pr-i(2))(3)]CoCl (15). Complexes 2 and 4 were characterized via cyclic voltammetry to compare their redox behavior to their [PhBP3] analogues. Complex 4 was also studied by SQUID magnetization and EPR spectroscopy to confirm its high-spin assignment, providing an interesting contrast to its previously described low-spin relative, [PhBP3]CoI. The difference in spin states observed for these two systems reflects the conformational rigidity of the [PhBp(3)(iPr)] ligand by comparison to [PhBP3], leaving the former less able to accommodate a JT-distorted electronic ground state
• ——
  作者：Ian R. Shapiro、David M. Jenkins、J. Christopher Thomas、Michael W. Day、Jonas C. Peters

  DOI：10.1039/b104447h

  日期：2001.10.11

  A homoleptic phosphine adduct of thallium( I) supported by a tris( phosphino) borate ligand has been isolated and structurally characterized.