(1,4,8,11-tetraazacyclotetradecane)CoCl2 | 115404-39-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1,4,8,11-tetraazacyclotetradecane)CoCl2
• 英文别名: [(cyclam)CoCl2]；Cobalt(2+);1,4,8,11-tetrazacyclotetradecane;dichloride；cobalt(2+);1,4,8,11-tetrazacyclotetradecane;dichloride
• CAS: 115404-39-2；21393-82-8；207514-79-2；1070867-78-5
• 化学式: C₁₀H₂₄Cl₂CoN₄
• 分子量: 330.227
• InChiKey: HJVYJJBVEKXOGU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -6.86
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  48.1
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1,4,8,11-tetraazacyclotetradecane)CoCl2 、 [U(3,5-dimethylpyrazolate)4]2 以 二氯甲烷 为溶剂， 以43%的产率得到(1,4,8,11-tetraazacyclotetradecane)Co[(μ-Cl)U(3,5-dimethylpyrazolate)4]2
  参考文献：
  名称：

  Ferromagnetic exchange coupling in the linear, chloride-bridged cluster (cyclam)CoII[(μ-Cl)UIV(Me2Pz)4]2

  摘要：

  The trinuclear cluster (cyclam)Co[(mu-Cl)U(Me(2)Pz)(4)](2) (cyclam = 1,4,8,11-tetraazacyclotetradecane, Me(2)Pz = 3,5-dimethylpyrazolate) is synthesized through cleavage of the homoleptic dimer [U( Me2Pz) 4] 2 by (cyclam) CoCl2. A single crystal X-ray diffraction analysis reveals a linear chloride-bridged structure analogous to that previously reported for (cyclam)Co[(mu-Cl)U(Me(2)Pz)(4)](2) (M = Ni, Cu, Zn). The magnetic exchange coupling of the CoU2 cluster was probed by analyzing the temperature dependence of its magnetic susceptibility. Comparison of chi T-M versus T between the CoU2 species and the diamagnetic ZnU2 cluster demonstrates the presence of ferromagnetic coupling between the Co-II and U-IV centers. We present methods for estimating upper and lower bounds for the exchange interaction energy in such systems and find that for CoU2, the exchange constant, J, lies in the range 15-48 cm (1). Application of these methods to the previously reported NiU2 cluster suggests somewhat weaker ferromagnetic exchange, with J lying in the range 2.8-19 cm (1). AC magnetic susceptibility experiments were not indicative of single-molecule magnet behavior for the CoU2 cluster, although qualitative interpretation of the low-temperature magnetization data suggests the presence of significant zero-field splitting in the ground state. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.03.006
• 作为产物：
  描述：

  1,4,8,11-四氮杂环十四烷 、 cobalt(II) chloride 以 甲醇 为溶剂， 以64%的产率得到(1,4,8,11-tetraazacyclotetradecane)CoCl2
  参考文献：
  名称：

  Ferromagnetic exchange coupling in the linear, chloride-bridged cluster (cyclam)CoII[(μ-Cl)UIV(Me2Pz)4]2

  摘要：

  The trinuclear cluster (cyclam)Co[(mu-Cl)U(Me(2)Pz)(4)](2) (cyclam = 1,4,8,11-tetraazacyclotetradecane, Me(2)Pz = 3,5-dimethylpyrazolate) is synthesized through cleavage of the homoleptic dimer [U( Me2Pz) 4] 2 by (cyclam) CoCl2. A single crystal X-ray diffraction analysis reveals a linear chloride-bridged structure analogous to that previously reported for (cyclam)Co[(mu-Cl)U(Me(2)Pz)(4)](2) (M = Ni, Cu, Zn). The magnetic exchange coupling of the CoU2 cluster was probed by analyzing the temperature dependence of its magnetic susceptibility. Comparison of chi T-M versus T between the CoU2 species and the diamagnetic ZnU2 cluster demonstrates the presence of ferromagnetic coupling between the Co-II and U-IV centers. We present methods for estimating upper and lower bounds for the exchange interaction energy in such systems and find that for CoU2, the exchange constant, J, lies in the range 15-48 cm (1). Application of these methods to the previously reported NiU2 cluster suggests somewhat weaker ferromagnetic exchange, with J lying in the range 2.8-19 cm (1). AC magnetic susceptibility experiments were not indicative of single-molecule magnet behavior for the CoU2 cluster, although qualitative interpretation of the low-temperature magnetization data suggests the presence of significant zero-field splitting in the ground state. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.03.006

文献信息

• Ferromagnetic exchange coupling in the linear, chloride-bridged cluster (cyclam)CoII[(μ-Cl)UIV(Me2Pz)4]2
  作者：Jeffrey D. Rinehart、Bart M. Bartlett、Stosh A. Kozimor、Jeffrey R. Long

  DOI：10.1016/j.ica.2008.03.006

  日期：2008.9

  The trinuclear cluster (cyclam)Co[(mu-Cl)U(Me(2)Pz)(4)](2) (cyclam = 1,4,8,11-tetraazacyclotetradecane, Me(2)Pz = 3,5-dimethylpyrazolate) is synthesized through cleavage of the homoleptic dimer [U( Me2Pz) 4] 2 by (cyclam) CoCl2. A single crystal X-ray diffraction analysis reveals a linear chloride-bridged structure analogous to that previously reported for (cyclam)Co[(mu-Cl)U(Me(2)Pz)(4)](2) (M = Ni, Cu, Zn). The magnetic exchange coupling of the CoU2 cluster was probed by analyzing the temperature dependence of its magnetic susceptibility. Comparison of chi T-M versus T between the CoU2 species and the diamagnetic ZnU2 cluster demonstrates the presence of ferromagnetic coupling between the Co-II and U-IV centers. We present methods for estimating upper and lower bounds for the exchange interaction energy in such systems and find that for CoU2, the exchange constant, J, lies in the range 15-48 cm (1). Application of these methods to the previously reported NiU2 cluster suggests somewhat weaker ferromagnetic exchange, with J lying in the range 2.8-19 cm (1). AC magnetic susceptibility experiments were not indicative of single-molecule magnet behavior for the CoU2 cluster, although qualitative interpretation of the low-temperature magnetization data suggests the presence of significant zero-field splitting in the ground state. (c) 2008 Elsevier B.V. All rights reserved.