glycinatonitratoaquocopper(II) | 94791-14-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: glycinatonitratoaquocopper(II)
• CAS: 94791-14-7
• 化学式: C₂H₄NO₂*Cu*H₂O*NO₃
• 分子量: 217.625
• InChiKey: QYQQPNKSSIPCIM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.37
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  163.85
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  glycinatonitratoaquocopper(II) 以 水 为溶剂， 生成 copper(II) glycinate
  参考文献：
  名称：

  Veeraiyan, V.; Udupa, M. R., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1984, vol. 23, # 11, p. 924 - 928

  摘要：

  DOI：
• 作为产物：
  描述：

  copper(II) glycinate 在 HNO₃ 作用下， 生成 glycinatonitratoaquocopper(II)
  参考文献：
  名称：

  Boussingault's mixed copper(II) glycinate nitrate

  摘要：

  硝酸盐和甘氨酸盐与铜(II)的混合化合物很容易制得；其晶体结构显示出一种不寻常的螺旋，每个铜离子都同时携带未识别的硝酸盐和螯合的甘氨酸盐作为配体。

  DOI：

  10.1039/c39920000226

文献信息

• 2 H magic-angle spinning NMR and powder diffraction study of deuterated paramagnetic copper(II) glycinato complexes. Information on crystallographic symmetries, stereo-isomerism, and molecular mobility available from ssNMR spectra
  作者：Gábor Szalontai、Róbert Csonka、József Kaizer、Petra Bombicz、Jasmina Sabolović

  DOI：10.1016/j.ica.2017.05.071

  日期：2018.3

  on the 2 H magic-angle spinning (MAS) NMR spectra of the paramagnetic Cu(II) glycinato complexes have been investigated. The reliability of information obtained from the spectra, such as symmetry relations within a molecule, number of chemical sites or molecules found in the asymmetric units, was confirmed by previously published X-ray crystal and molecular structures. From the 2 H MAS spectra, complemented

  摘要研究了立体化学，多晶型，晶体堆积和固相迁移率对顺磁性Cu（II）甘氨酸复合物的2 H幻角旋转（MAS）NMR谱的影响。由光谱获得的信息的可靠性，例如分子内的对称关系，在不对称单元中发现的化学位点或分子的数量，已由先前发表的X射线晶体和分子结构得到证实。从2 H MAS谱图，再加上合成的双（glycinato- d 4）铜（II）配合物的粉末衍射图，我们可以鉴定出三个固相，即顺水和非水形式以及反式非水晶体。第四个样品被鉴定为八面体铜（II）络合物链，在八面体建筑单元中具有双齿甘氨酸和NO 3配体。揭示了观察到的顺磁位移的符号和大小与连接实际2 H原子核和顺磁中心的键数和/或二面角之间的相关性，这在结构分配中很有用。2 H MAS NMR光谱信息与可用的晶体衍射数据的一致性也预测了它们在NMR晶体学工作中的适用性。
• Magnetic properties and circular dichroism of 1D chains built from chiral mononuclear and non-chiral trinuclear Cu(II) complexes with α-aminocarboxylates
  作者：Elena A. Mikhalyova、Sergey V. Kolotilov、Olivier Cador、Fabrice Pointillart、Stéphane Golhen、Lahcène Ouahab、Vitaly V. Pavlishchuk

  DOI：10.1016/j.ica.2010.06.052

  日期：2010.10

  Coordination polymers Cu(L-Pro)(ClO4)(H2O)(2) (1) and Cu-3(Gly)(4)(H2O)(2)(NO3)(2) (2) were synthesized and characterized structurally. Compound 1 possesses the structure of 1D chain, where Cu(II) ions are linked by carboxyl-group in syn-anti conformation in equatorial-equatorial mode. Compound 2 is polymeric chain, consisting from trinuclear blocks Cu-3(Gly)(4)(H2O)(2)(2+). In each of these units Cu(II) ions are linked by carboxyl-group in the same way as in 1, while trinuclear units Cu-3(Gly)(4)(H2O)(2)(2+) are linked by NO3 ions, acting as the bridges between Cu(II) ions of neighboring trinuclear units. Circular dichroism properties of 1 were studied in solid state and solution. Magnetic measurements revealed that there were ferromagnetic exchange interactions between Cu(II) ions in 1 (J = + 1.22(1) cm(-1) for Hamiltonian (H) over cap = 2J Sigma iSiSi+1) and 2 (J = + 1.17(2) cm(-1) for Hamiltonian (H) over cap = 2J((S) over cap (1)(S) over cap (2) vertical bar (S) over cap (2)(S) over cap (3)) vertical bar mu(B)gH((S) over cap (1) vertical bar (S) over cap (2) vertical bar (S) over cap (3))). (C) 2010 Elsevier B.V. All rights reserved.