pyrrolidinium copper trichloride | 181881-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: pyrrolidinium copper trichloride
• CAS: 181881-04-9
• 化学式: C₄H₁₀Cl₃CuN
• 分子量: 242.035
• InChiKey: UNSNZQKLTBEXFV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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文献信息

• Crystal Structure and Magnetic Susceptibility Study of Pyrrolidinium Trichlorocuprate(II)
  作者：Mingyi Wei、Roger D. Willett、Daniel Teske、Kala Subbaraman、John E. Drumheller

  DOI：10.1021/ic960057f

  日期：1996.1.1

  The title compound, (C4NH10)CuCl3, is shown to exist in two phases, the previously reported alpha phase and a new beta phase. DSC studies indicate that the beta phase transforms to the a phase at 93 degrees C. The beta phase is stable at the room temperature, with the a phase metastable with respect to the beta phase at room temperature. Crystals of the beta phase are monoclinic, C2/c, with a 17.327(3) Angstrom, b = 8.360(2) Angstrom, c = 12.005(2) Angstrom, and beta 100.92 (3)degrees with Z = 8 for p = 1.883 g/cm(3). The structure contains chains of bibridged Cu2Cl62- dimers running parallel to the c direction. This is in contrast to the previously reported a form, which contains uniform chains of face-shared octahedra. The chains in the alpha phase lie parallel to the unique (monoclinic) axis. Thus, no crystallographic relationships exist between the two compounds and the phase transition must be first order in nature. A unique feature of the phase transition is a decrease in volume as the crystal is heated through the transition. This is a result of the formation of the more compact chains of face-shared octahedra in the high-temperature phase, Magnetic susceptibility studies of the beta phase are indicative of competing ferromagnetic and antiferromagnetic coupling, with the onset of long-range order at 7.5 K. The data are interpreted in terms of a ladder chain consisting of ferromagnetic dimers coupled into antiferromagnetic chains through short Cl-... Cl contacts.
• Nilsen, Diane M.; Larsen; Emerson, Kenneth, Inorganic Chemistry, <hi>1990</hi>, vol. 29, # 16, p. 2887 - 2888
  作者：Nilsen, Diane M.、Larsen、Emerson, Kenneth、Rubenacker, Gerald V.、Ping, Zhou、Drumheller, John E.

  DOI：——

  日期：——