trans-[Fe(1,4,8,11-tetraazacyclotetradecane)Cl2]BF4 | 345583-98-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: trans-[Fe(1,4,8,11-tetraazacyclotetradecane)Cl2]BF4
• 英文别名: dichloroiron(1+);1,4,8,11-tetrazacyclotetradecane;tetrafluoroborate
• CAS: 345583-98-4
• 化学式: BF₄*C₁₀H₂₄Cl₂FeN₄
• 分子量: 413.885
• InChiKey: VOVPFTHMJIEASP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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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：
  None

反应信息

• 作为反应物：
  描述：

  氧化亚氮 、 六氟磷酸钾 、 trans-[Fe(1,4,8,11-tetraazacyclotetradecane)Cl2]BF4 以 水 为溶剂， 以85%的产率得到trans-[(cyclam)FeCl(NO)][FeCl(cyclam)(NO)]2(PF6)6
  参考文献：
  名称：

  Lopes, Luiz G.F.; Sousa, Eduardo H.S.; Miranda, Jose C.V., Journal of the Chemical Society Dalton Transactions, 2002, # 9, p. 1903 - 1906

  摘要：

  DOI：
• 作为产物：
  描述：

  iron(II) chloride tetrahydrate 、 1,4,8,11-四氮杂环十四烷 、 tetrafluoroboric acid 以 甲醇 为溶剂， 以40%的产率得到trans-[Fe(1,4,8,11-tetraazacyclotetradecane)Cl2]BF4
  参考文献：
  名称：

  Structure and properties of iron–cyclam complex of 2-aminophenol

  摘要：

  The cis-[Fe(cyclam)Cl-2]Cl and trans-[Fe(cyclam)Cl-2]BF4 complexes were prepared by a new synthetic procedure. These isomers were characterized by elemental analysis, electronic spectroscopy (lambda (max) = 238, 134 and lambda (max) = 238, 302 and 355 nm for cis- and trans-[Fe(cyclam)Cl-2](+) respectively) and electrochemistry (E-1/2 = 212 and 83 mV; vs. Ag \ AgCl, KCl 3.5 M,25 degreesC mu = 0.1 M NaTFA, pH 3.0 for cis- and trans-[Fe(cyclam)Cl-2](+), respectively). The reaction of cis-[Fe(cyclam)Cl-2](+) isomer with 2-aminophenol (catH(3)) ligand yields the cis-[Fe(cyclam)(qH)](2+) complex, where (qH) is the quinonoid oxidized form of the (catH(3)) ligand that is originated by an intramolecular electron transfer reaction. The cis-[Fe(cyclam)(qH)](PF6)(2) complex crystallizes in the space group P2(1)/n, with two different values for Fe-N bond length, due to the sigma and pi distinct contributions. The electrochemical analysis of this species shows three one-electron sequential processes: E-1/2 (I) = -316 mV, E-1/2 (II) = +361 mV and E-1/2 (III)= + 1.013 mV assigned to (sqH/catH(3)). (qH/sqH) and (Fe(III)/Fe(II)) redox process, respectively. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00621-5

文献信息

• Thermal isomerization of cis-[Fe(cyclam)Cl2]Cl·H2O complex in the solid state
  作者：Eduardo H.S. Sousa、Cristiane P. Oliveira、Luiz C.G. Vasconcellos、Luiz G.F. Lopes、Izaura C.N. Diógenes、Idalina M.M. Carvalho、José C.V. Miranda、Francisco A. Dias、Ícaro S. Moreira

  DOI：10.1016/s0040-6031(01)00576-7

  日期：2001.9

  Abstract The solid state thermal isomerization of cis -[Fe(cyclam)Cl 2 ]Cl·H 2 O (cyclam is 1,4,8,11-tetraazacyclotetradecane), is investigated by TG/DSC, electrochemical and vibrational spectroscopic methods. The thermal isomerization of this complex was found to be water dependent and endothermic. An aquation–anation pathway that precedes the macrocyclic ligand stereochemical rearrangement in the

  摘要 采用TG/DSC、电化学和振动光谱方法研究了顺式-[Fe(cyclam)Cl 2 ]Cl·H 2 O(cyclam is 1,4,8,11-四氮杂环十四烷)的固态热异构化反应。发现该复合物的热异构化依赖于水和吸热。提出了在复合物中大环配体立体化学重排之前的水合-阴离子途径。