Fe(py)4(NCS)2 | 15154-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Fe(py)4(NCS)2
• 英文别名: [Fe^II(NCS)2(Py)4]
• CAS: 15154-78-6
• 化学式: C₂₂H₂₀FeN₆S₂
• 分子量: 488.42
• InChiKey: LTLJAFKAIISRQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Fe(py)4(NCS)2 以 neat (no solvent) 为溶剂， 以99%的产率得到Fe(pyridine)2(NCS)2
  参考文献：
  名称：

  Metamagnetism and long range ordering in μ-1,3 bridging transition metal thiocyanato coordination polymers

  摘要：

  Reaction of M(SCN)(2) (M = Mn, Fe, Ni) with pyridine (pyr) in aqueous solution at room temperature leads to the formation of the literature known pyridine-rich 1:4 compounds of composition [M(SCN)(2)(pyridine)(4)] (M = Mn (1-Mn), Fe (1-Fe), Ni (1-Ni)) reported recently. On heating, the 1:4 compounds decompose into their corresponding pyridine-deficient 1:2 compounds of composition [M(SCN)(2)(pyridine)(2)](n) (M = Mn (2-Mn), Fe (2-Fe), Ni (2-Ni)) which decompose on further heating. In the crystal structure of the pyridine-deficient 1:2 compounds the metal cations are coordinated by four N-atoms of two pyridine ligands and two N-bonded thiocyanato anions, each in mutually trans orientation, and by two S-atoms of two adjacent thiocyanato anions in a slightly distorted octahedral geometry. The thiocyanato anions bridge the metal cations into one-dimensional (1D) polymeric chains. IR spectroscopic investigations on the pyridine-deficient 1:2 compounds are in agreement with the presence of mu-1,3 bridging thiocyanato anions. Magnetic measurements of the pyridine-rich 1:4 compounds show only Curie-Weiss paramagnetism whereas for the pyridine-deficient 1:2 compounds an antiferromagnetic ordering for [Mn(NCS)(2)(pyridine)(2)](n) (2-Mn) and metamagnetic behavior for [Ni(NCS)(2)(pyridine)(2)](n) (2-Ni) is found. For [Cu(NCS)(2)(pyridine)(2)](n) (2-Cu) Curie-Weiss paramagnetic behavior is observed. [Fe(NCS)(2)(pyridine)(2)](n) (2-Fe) shows metamagnetic behavior, which was already investigated but remeasured for a more detailed characterization. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.10.013
• 作为产物：
  描述：

  吡啶 、 iron(II) chloride tetrahydrate 、 potassium thioacyanate 在 维生素 C 作用下， 以 甲醇 为溶剂， 生成 Fe(py)4(NCS)2
  参考文献：
  名称：

  Switchable on–off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds

  摘要：

  单晶-单晶可逆转变实现了自旋交替开关，1·3MeOH⇌1⇌1·2HO。

  DOI：

  10.1039/c9dt04685b

文献信息

• Imparting hysteretic behavior to spin transition in neutral mononuclear complexes
  作者：Maksym Seredyuk、Kateryna Znovjyak、M. Carmen Muñoz、Yurii Galyametdinov、Igor O. Fritsky、Jose A. Real

  DOI：10.1039/c6ra05342d

  日期：——

  A series of spin transition neutral compounds [FeL(NCS)2] has been synthesized and characterized by means of magnetic susceptibility studies, X-ray diffraction, IR and Mössbauer spectroscopic, and calorimetric measurements (L = N,N-bis((3-alkoxypyridin-2-yl)methylene)-propane-1,3-diamine, number of carbon atoms in chains (n) = 4, 12, 14, 16, 18, 20). The shortest chain compound is crystalline and displays

  合成了一系列自旋转变中性化合物[FeL（NCS）2 ]，并通过磁化率研究，X射线衍射，IR和Mössbauer光谱以及量热法进行了表征（L = N，N -bis（（3 -烷氧基吡啶基-2-基）亚甲基）丙烷-1,3-二胺，链中的碳原子数（n）= 4、12、14、16、18、20）。最短的链状化合物是晶体，在环境温度以上会显示出逐渐的自旋转变。使脂族取代基增长至n = 12和14会导致晶序损失和磁性能下降。在临界链长n等于或大于16，化合物经历自旋转变所反映的相变，并导致最初未观察到短链同类物出现磁化滞后现象。对于n = 20的化合物，磁滞成为最明显的。研究表明，链长优化对于相变和自旋跃迁之间的有效反馈非常重要。
• Effect of Chelate Ring Size in Iron(II) Isothiocyanato Complexes with Tetradentate Tripyridyl‐alkylamine Ligands on Spin Crossover Properties
  作者：Michael Leibold、Sandra Kisslinger、Frank W. Heinemann、Frank Hampel、Yuko Ichiyanagi、Michael Klein、Patrick Homenya、Franz Renz、Hans Toftlund、Georg Brehm、Siegfried Schneider、Markus Reiher、Siegfried Schindler

  DOI：10.1002/zaac.201500684

  日期：2016.1

  obtaining complexes [Fe(pmea)(NCS)2], [Fe(pmap)(NCS)2], and [Fe(tepa)(NCS)2] [pmea = N,N-bis[(2-pyridyl)methyl]-2-(2-pyridyl)ethylamine, pmap = N,N-bis[2-(2-pyridyl)ethyl]-(2-pyridyl)methylamine, and tepa = tris[2-(2-pyridyl)ethyl]amine]. All complexes were structurally characterized and spin crossover properties were investigated using Mosbauer spectroscopy, magnetic measurements, and IR/Raman analyses

  众所周知，具有四齿配体 L 的 [Fe(L)(NCS)2] 型铁 (II) 配合物具有自旋交叉特性。然而，这种行为对于配体系统的微小变化非常敏感。从彻底研究的复合物 [Fe(tmpa)(NCS)2] [tmpa = tris(2-pyridylmethyl)amine，在文献中也缩写为 tpa] 开始，我们通过系统地将螯合环尺寸从 5 增加到 6 来修饰配体从而得到复合物 [Fe(pmea)(NCS)2]、[Fe(pmap)(NCS)2] 和 [Fe(tepa)(NCS)2] [pmea = N,N-bis[(2-pyridyl)]甲基]-2-(2-吡啶基)乙胺，pmap = N,N-双[2-(2-吡啶基)乙基]-(2-吡啶基)甲胺，tepa = 三[2-(2-吡啶基)乙基]胺]。所有配合物都进行了结构表征，并使用 Mosbauer 光谱、磁性测量和红外/拉曼分析研究了自旋交叉特性。结果表明，只有与
• Solvent Polarity Predictably Tunes Spin Crossover <i>T</i>_1/2 in Isomeric Iron(II) Pyrimidine Triazoles
  作者：Santiago Rodríguez-Jiménez、Alexis S. Barltrop、Nicholas G. White、Humphrey L. C. Feltham、Sally Brooker

  DOI：10.1021/acs.inorgchem.8b00128

  日期：2018.6.4

  the 4-pyrimidine complex (216–367 K), regardless of solvent choice, consistent with the 2-pyrimidine ring providing a stronger ligand field than the 4-pyrimidine ring. Strong correlations of solvent polarity index with the T1/2 values in those solvents are observed for each complex, enabling predictable T1/2 tuning by up to 150 K. While this correlation is tantalizing, here it may also be reflecting solvent-dependent

  制备了两个基于嘧啶的异构体Rdpt型三唑配体：4-（4-甲基苯基）-3-（2-嘧啶基）-5-苯基-4 H -1,2,4-三唑（L 2嘧啶）和4- （4-甲基苯基）-3-（4-嘧啶基）-5-苯基-4 H -1,2,4-三唑（L 4嘧啶）。当与[Fe II（吡啶）4（NCE）2 ]，其中E = S，Se或BH 3反应时，会获得两个单核铁（II）配合物家族，其中包括六个溶剂型，总共提供了12种化合物： [Fe II（L 2嘧啶）2（NCS）2 ]（1），的[Fe II（大号2pyrimidine）2（NCSE）2 ]（2），2 ·1.5H 2 O，的[Fe II（大号2pyrimidine）2（NCBH 3）2 ]·2CHCl 3（3 ·2CHCl 3），3和3 ·2H 2 O，[Fe II（L 4嘧啶）2（NCS）2 ]（4），4 ·H 2 O，[FeII（大号4pyrimidine）2（NCSE）2
• A steep one-step [HS–HS] to [LS–LS] spin transition in a 4,4′-bipyridine linked one-dimensional coordination polymer constructed from a pyrazolato bridged Fe(<scp>ii</scp>) dimer
  作者：Ko Yoneda、Keiichi Adachi、Shinya Hayami、Yonezo Maeda、Motomi Katada、Akira Fuyuhiro、Satoshi Kawata、Sumio Kaizaki

  DOI：10.1039/b512266j

  日期：——

  The variable temperature magnetic susceptibility, X-ray crystallography, and Mössbauer and Raman spectra of a new dinuclear complex-based one-dimensional coordination polymer [FeII2(NCS)2(μ-bpypz)2}(μ-4,4′-bpy)]·MeOH demonstrated a steep one-step [HS–HS] to [LS–LS] spin transition.

  一种新的基于二核络合物的一维配位聚合物[FeII2(NCS)2(δ-bpypz)2}(δ-4,4â²-bpy)]Â-MeOH的变温磁感应强度、X射线晶体学、默塞斯鲍尔和拉曼光谱显示出一步陡峭的[HSâHS]到[LSâLS]自旋转变。
• Substituent effect of the coordinated pyridine in a series of pyrazolato bridged dinuclear diiron(ii) complexes on the spin-crossover behavior
  作者：Keisaku Nakano、Naohiko Suemura、Ko Yoneda、Satoshi Kawata、Sumio Kaizaki

  DOI：10.1039/b416986g

  日期：——

  series of pyrazolato bridged dinuclear NCS and NCBH3 diiron(II) complexes with various types of 3- or 4-substituted pyridines, [Fe(NCS or NCBH3)(X-py)}2(mu-bpypz)2], were prepared and their variable-temperature magnetic susceptibilities were measured. There were found linear correlations of the spin-crossover temperatures Tc not only between the NCS and NCBH3 complexes with the corresponding substituted

  两个系列的吡唑并桥联的双核NCS和NCBH3二铁（II）配合物，具有各种类型的3-或4-取代的吡啶[Fe（NCS或NCBH3）（X-py）} 2（mu-bpypz）2]。制备并测量其可变磁化率。发现不仅在NCS和NCBH3配合物与相应的取代吡啶之间，而且在Tc和Hammett常数之间，自旋交叉温度Tc呈线性相关，这支持了配位吡啶的电子取代作用而不是空间作用。 。讨论了配体场和电子间排斥参数，以及热力学数据和/或协同系数，以及它们的自旋交叉行为。