[Fe4(1,1,1-tris(hydroxymethyl)ethane-3H)2Cl4(OOCMe)2(EtOH)2] | 877932-99-5

• 英文名称: [Fe4(1,1,1-tris(hydroxymethyl)ethane-3H)2Cl4(OOCMe)2(EtOH)2]
• 英文别名: [Fe4(thme)2Cl4(OOCMe)2(EtOH)2]
• CAS: 877932-99-5
• 化学式: C₁₈H₃₆Cl₄Fe₄O₁₂
• 分子量: 809.677
• InChiKey: WIKIZNAKFFBNQK-UHFFFAOYSA-H

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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• 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：
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反应信息

• 作为产物：
  描述：

  iron(III) chloride hexahydrate 、 1,1,1-三(羟甲基)乙烷 、 乙醇 、 sodium acetate 以 乙腈 为溶剂， 以17%的产率得到[Fe4(1,1,1-tris(hydroxymethyl)ethane-3H)2Cl4(OOCMe)2(EtOH)2]
  参考文献：
  名称：

  Fe(III) clusters built with tripodal alcohol ligands

  摘要：

  Reaction of the tripodal ligand 1,1,1-tris(hydroxymethyl)ethane (H(3)thme) with a variety of Fe(III) precursors under both ambient and solvothermal conditions has led to the isolation of a number of new complexes ranging in nuclearity from 4 to 16. These include the rhomb or diamond-like clusters [Fe-4(thme)(2)Cl-4(O2CR)(2)(R'OH)(2)] (1, R = Me, R' = Et; 2, R = Ph, R' = Me; 3, R = CMe3, R' = Me); the related nonanuclear and undecanuclear clusters [Fe9O4(O2CCMe3)(13)(thme)(2)] (4) and [NEt4][Fe11O4(O2CPh)(10)(thme)(4)(dmhp)(2)Cl-4] (5) (dmhp = 4,6-dimethyl-2-hydroxypyrimidine) and the octametallic and hexadecametallic wheels [Fe-8(O2CR)12(thme)41 (6, R = Ph; 7, R = CMe3) and [Fe-16(EtO)(4)(O2CPh)(16)(Hthme)(12)](NO3)(4) (8). Magnetic studies reveal the presence of dominant antiferromagnetic interactions between the Fe centres in all eight complexes which results in the presence of small spin ground states for complexes 1-4 and 6-8. For 5 however, these stabilise an S = 11/2 spin ground state with an axial zero-field splitting parameter of D = -0.46 cm(-1). Single crystal hysteresis loops in magnetisation versus external magnetic field measurements show the temperature and sweep rate dependence indicative of single-molecule magnetism behaviour. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.08.034