Pd(2,6-bis(piperidylmethyl)benzene(1-))Br | 886854-31-5

• 英文名称: Pd(2,6-bis(piperidylmethyl)benzene(1-))Br
• 英文别名: Pd(pip2NCN)Br
• CAS: 886854-31-5
• 化学式: C₁₈H₂₇BrN₂Pd
• 分子量: 457.75
• InChiKey: CJJJDGXMHIVRLW-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：

  Pd(2,6-bis(piperidylmethyl)benzene(1-))Br 、 sodium chloride 在 AgBF₄ 作用下， 以 丙酮 为溶剂， 以76%的产率得到Pd(2,6-bis(piperidylmethyl)benzene(1-))Cl
  参考文献：
  名称：

  Synthesis, structures and spectroscopic properties of palladium(II) complexes with tridentate piperidyl-containing pincer ligands

  摘要：

  A new series of square planar palladium(II) complexes with pincer ligands,pip(2)NCN(-)(pip(2)NCNH = 1,3-bis(piperidylmethyl)benzene) and pip(2)NNN (2,6-bis(piperidylmethyl)pyridine), has been prepared: Pd(pip(2)NCN)X (X = Cl, Br, I), [Pd(PiP(2)NCN)(L)](BF4) (L = pyridine, 4-phenylpyridine), and [Pd(pip(2)NNN)Cl]Cl. The X-ray crystal structures of Pd(pip(2)NCN)Br, [Pd(pi(2)NCN)(L)]BF4, and [Pd(PiP(2)NNN)Cl]Cl confirm the tridentate coordination geometries of the pincer ligands. For the PiP(2)NCN(-) complexes, each piperidyl ring adopts a chair conformation with the metal center at an equatorial position on the N(piperidyl) atom. However, one of the piperidyl groups of Pd(PiP(2)NNN)CI+ adopts a previously unobserved coordination geometry, effectively placing the metal center at an axial position on the N(piperidyl) atom. H-1 NMR and UV-Vis absorption measurements provide additional insight into the electronic structures of these complexes. The H-1 NMR spectra of Pd(PiP2NCN)X (X = Cl, Br, I) are consistent with deshielding of the PiP2NCN- ligand resonances along the Cl < Br < I series, in opposition to the relative halogen electronegativities. It is suggested that this trend is consistent with decreasing filled/filled repulsions between the d pi orbitals of the metal center and the lone pair orbitals of the halide ligands along this series. Electronic absorption spectra support the notion that ligand-to-metal charge-transfer states are stabilized in these palladium(II) complexes relative to their platinum(II) analogues. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.07.035
• 作为产物：
  描述：

  (1,5-环辛二烯)溴化钯 、 2,6-bis(piperidylmethyl)-1-bromobenzene 在 N-butyllithium 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以70%的产率得到Pd(2,6-bis(piperidylmethyl)benzene(1-))Br
  参考文献：
  名称：

  Synthesis, structures and spectroscopic properties of palladium(II) complexes with tridentate piperidyl-containing pincer ligands

  摘要：

  A new series of square planar palladium(II) complexes with pincer ligands,pip(2)NCN(-)(pip(2)NCNH = 1,3-bis(piperidylmethyl)benzene) and pip(2)NNN (2,6-bis(piperidylmethyl)pyridine), has been prepared: Pd(pip(2)NCN)X (X = Cl, Br, I), [Pd(PiP(2)NCN)(L)](BF4) (L = pyridine, 4-phenylpyridine), and [Pd(pip(2)NNN)Cl]Cl. The X-ray crystal structures of Pd(pip(2)NCN)Br, [Pd(pi(2)NCN)(L)]BF4, and [Pd(PiP(2)NNN)Cl]Cl confirm the tridentate coordination geometries of the pincer ligands. For the PiP(2)NCN(-) complexes, each piperidyl ring adopts a chair conformation with the metal center at an equatorial position on the N(piperidyl) atom. However, one of the piperidyl groups of Pd(PiP(2)NNN)CI+ adopts a previously unobserved coordination geometry, effectively placing the metal center at an axial position on the N(piperidyl) atom. H-1 NMR and UV-Vis absorption measurements provide additional insight into the electronic structures of these complexes. The H-1 NMR spectra of Pd(PiP2NCN)X (X = Cl, Br, I) are consistent with deshielding of the PiP2NCN- ligand resonances along the Cl < Br < I series, in opposition to the relative halogen electronegativities. It is suggested that this trend is consistent with decreasing filled/filled repulsions between the d pi orbitals of the metal center and the lone pair orbitals of the halide ligands along this series. Electronic absorption spectra support the notion that ligand-to-metal charge-transfer states are stabilized in these palladium(II) complexes relative to their platinum(II) analogues. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.07.035