[copper(II)bis(2-(aminomethyl)pyridine)(tetrafluoroborate)2] | 75948-12-8

• 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: [copper(II)bis(2-(aminomethyl)pyridine)(tetrafluoroborate)2]
• 英文别名: copper;pyridin-2-ylmethanamine;ditetrafluoroborate
• CAS: 75948-12-8
• 化学式: C₁₂H₁₆B₂CuF₈N₄
• 分子量: 453.441
• InChiKey: CGEQVFFLAKNSKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  77.8
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  2-氨甲基吡啶 、 copper(II) bis(tetrafluoroborate) 以 not given 为溶剂， 以60%的产率得到[copper(II)bis(2-(aminomethyl)pyridine)(tetrafluoroborate)2]
  参考文献：
  名称：

  The crystal structure, spectroscopy and EPR of tetragonal bis(2-(aminomethyl)pyridine)Cu(II) compounds. Rare cases of the absence of Cu(II) plasticity

  摘要：

  Two new Cu(II) coordination compounds, [Cu(amp)(2)(CF3SO3)(2)] and [Cu(amp)(2)](BF4)(2) (in which amp = 2(aminomethyl)pyridine) have been synthesized and investigated by X-ray analysis, ligand field and EPR spectroscopy. The first compound crystallizes in the monoclinic space group P2(1)/c with a = 10.911(3), b = 11.876(3), c = 8.039(3) Angstrom, beta = 75.70(3)degrees and refined to an R value of 0.0293. The second compound crystallizes in the triclinic space group P (1) over bar with a = 7.490(4), b = 7.841(4), c = 7.869(4) Angstrom, alpha = 106.51(4), beta = 108.95(5), gamma = 95.98(4)degrees and refined to an R value of 0.0428. Both mononuclear compounds have a tetragonally elongated octahedral structure in which the Cu(II) ion is equatorially surrounded by four nitrogens of the two amp ligands. The axial positions are occupied by the O atom of the triflate anion and the F of the tetrafluoroborate anion, respectively. EPR spectra, recorded as a solid and as a frozen solution, and ligand field spectra, as a solid by diffuse reflectance, were measured and compared with earlier reported Cu-amp compounds of stoichiometry [Cu(amp)(2)(X')(2)] (where X = NO3, ClO4, CF3SO3, BF4 and H2O). EPR spectra in frozen solutions (DMF) at 77 K revealed g(perpendicular to) at about 2.05, g(parallel to) of 2.22 with a splitting A(\) of 19.0 mT for both compounds. The LF maxima occur at 17.5-18.0 x 10(3) cm(-1). The group of compounds with stoichiometry [Cu(amp)(2)(X-2)], appears to be a rare case where Cu(II) plasticity in trans-Cu(LL)(2)(X)(2) (where LL = chelating organic ligand) is not observed, despite significant changes in ligand field strength of the (X) anions. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00293-5