[Cu(HN(C2H4NH2)2)(OC(O)CH3)]ClO4, monoclinic | 37068-93-2

• 英文名称: [Cu(HN(C2H4NH2)2)(OC(O)CH3)]ClO4, monoclinic
• 英文别名: copper;N'-(2-aminoethyl)ethane-1,2-diamine;acetate;perchlorate
• CAS: 37068-93-2
• 化学式: C₂H₃O₂*C₄H₁₃N₃*ClO₄*Cu
• 分子量: 325.209
• InChiKey: VCPKKXHRGRTCHM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -7.51
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  179
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  tetrakis(acetato)diaquadicopper(II) 、 以 甲醇 、 水 为溶剂， 以95%的产率得到[Cu(HN(C2H4NH2)2)(OC(O)CH3)]ClO4, monoclinic
  参考文献：
  名称：

  Carboxylate shift in one dimension polymeric chain complexes [Cu (dien) (OAc) ] n (ClO4) n. Syntheses, crystal structure and spectroscopic study on isomer

  摘要：

  Two one dimension copper(II) polymer chain complexes with an identical molecular formula, [Cu(dien)(OAc)](n)(ClO4)(n), but different stuctural features were synthesized through the reaction of Cu-2(OAc)(4). 2H(2)O with M(dien)(2)(ClO4)(2) (M = Cu2+, Ni2+ and Zn2+; dien = diethylenetriamine). In complex I, the geometry at each Cu(II) ion is a distorted octahedron (4 + 2) (D. K. Towle, et al. Inorg. Chem. 1988, 27, 394-399); while in complex 2, that is pentacoordinate and best described asa distorted trigonal-bipyramid. The acetate groups act as monodentate bridging mode in 1, but as single syn-anti bridging fashion (Cu-O = 2.008(10) and 2.062(11) Angstrom) in 2. These provide a good example for the suggested pathway in the "carboxylate shift". The isomer can also be diagnosed by FT-IR and FT-Raman spectroscopies, and X-ray powder diffraction. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00034-5

文献信息

• Towle, Debra K.; Hoffmann; Hatfield, William E., Inorganic Chemistry, 1988, vol. 27, # 2, p. 394 - 399
  作者：Towle, Debra K.、Hoffmann、Hatfield, William E.、Singh, Phirtu、Chaudhuri, Phalguni

  DOI：——

  日期：——