tetraethylammonium fac-[iron(III)tricyano(hydrothis(1-pyrazolyl)borate)] | 867347-17-9

• 英文名称: tetraethylammonium fac-[iron(III)tricyano(hydrothis(1-pyrazolyl)borate)]
• 英文别名: (Et4N)[fac-Fe(hydrotris(1-pyrazolyl)borate)(CN)3]；[NEt4][(tetra(pyrazol-1-yl)borate)Fe(III)(CN)3]
• CAS: 867347-17-9
• 化学式: C₈H₂₀N*C₁₂H₁₀BFeN₉
• 分子量: 477.183
• InChiKey: BSXLNCOCYCLTRG-UHFFFAOYSA-N

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  tetraethylammonium fac-[iron(III)tricyano(hydrothis(1-pyrazolyl)borate)] 、 cobalt(II) perchlorate hexahydrate 、 乙腈 以 水 、 乙腈 为溶剂， 以36%的产率得到[Fe(hydrotris(1-pyrazolyl)borate)(CN)3]4[Co(MeCN)(H2O)2]2*10H2O*2MeCN
  参考文献：
  名称：

  氰基桥联六核Fe4M2（M = Ni，Co，Mn）簇：Fe4Ni2簇的自旋倾斜反铁磁有序。

  摘要：

  异双金属六核氰基桥联络合物[[Fe（Tp）（CN）3} 4 {M（MeCN）（H2O）2}（2）]。10H2O.2MeCN [M = Ni（1），Co（2），锰（3）; Tp =氢三（1-吡唑基）硼酸盐]，是在H2O-MeCN溶液中合成的。配合物1-3是同构和六核的，具有[{Fe（Tp）（CN）3} 4 {M（MeCN）（H2O）2} 2]单元，这些单元通过氢键连接形成固态的二维结构。络合物1是倾斜的反铁磁体，它在大约1 T和2 K时经历场感应的类似自旋跃迁的跃迁。在4.45 K 1处，过渡到非相互作用S = 4磁簇的顺磁态。但是，图2和图3显示了反铁磁团簇内耦合。溶剂从2轻松流失会改变局部对称性，从而导致簇内相互作用从反铁磁性变为铁磁性。

  DOI：

  10.1021/ic0500356

文献信息

• An <i>S</i> = 6 Cyanide-Bridged Octanuclear Fe^III₄Ni^II₄ Complex that Exhibits Slow Relaxation of the Magnetization
  作者：Dongfeng Li、Sean Parkin、Guangbin Wang、Gordon T. Yee、Rodolphe Clérac、Wolfgang Wernsdorfer、Stephen M. Holmes

  DOI：10.1021/ja058626i

  日期：2006.4.5

  The synthesis and structural and magnetic characterization of an S = 6 cyanide-bridged octanuclear FeIII4NiII4 (1) complex is described. Ac susceptibility and mu-SQUID measurements suggest that fast magnetization relaxation is present in zero-field due to quantum tunneling of the ground spin state (QTM) while application of small magnetic fields induces slow relaxation of the magnetization.

  描述了 S = 6 氰化物桥连八核 FeIII4NiII4 (1) 配合物的合成和结构和磁性表征。Ac 磁化率和 mu-SQUID 测量表明，由于基自旋态 (QTM) 的量子隧道效应，零场中存在快速磁化弛豫，而小磁场的应用会导致磁化缓慢弛豫。
• Single molecule magnet: Heterodinuclear cyano-bridged cubic cluster [(Tp)8Fe4Ni4(CN)12] (Tp=hydrotris(1-pyrazolyl)borate)
  作者：Jinkwon Kim、Sujin Han、Jin Mook Lim、Kwang-Yong Choi、Hiroyuki Nojiri、Byoung Jin Suh

  DOI：10.1016/j.ica.2006.12.049

  日期：2007.5

  The octanuclear cyano-bridged cluster [(Tp)(8)Fe4Ni4(CN)(12)] center dot H2O center dot 24CH(3)CN (1) (Tp = hydrotris(1-pyrazoiyl)borate) showing magnetic properties of single-molecule magnet has been synthesized by reaction of [fac-Fe(Tp)(CN)(3)](-) with (Tp)Ni(NO3)} species formed from an equimolar reaction mixture of Ni(NO3)(2) center dot 6H(2)O and KTp in MeCN. The X-ray analysis of 1 shows molecular cube structure in which Fe-III and Ni-II ions reside in alternate corners. The average intramolecular Fe center dot center dot center dot Ni distance is 5.124 angstrom. Out-of-phase ac susceptibility and reduce magnetization measurements show that 1 is a single molecule magnet with ground spin state S = 6 and spin reversal energy barrier U = 14 K. Magnetic hysteresis loops were also observed by applying fast sweeping field. (C) 2007 Elsevier B.V. All rights reserved.