potassium 2-dicyanomethylene-1,1,3,3-tetracyanopropanediide | 95011-48-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: potassium 2-dicyanomethylene-1,1,3,3-tetracyanopropanediide
• 英文别名: 2-dicyanomethyl-propene-1,1,3,3-tetracarbonitrile; dipotassium-compound；K2(tcpd)；K2[tcpd]；2-Dicyanmethyl-propen-1,1,3,3-tetracarbonitril; Dikalium-Verbindung
• CAS: 95011-48-6
• 化学式: C₁₀N₆*2K
• 分子量: 282.347
• InChiKey: FNHPPFHNZJFLHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.42
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  142.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  iron(II) chloride tetrahydrate 、 potassium 2-dicyanomethylene-1,1,3,3-tetracyanopropanediide 、 4-氨基-3,5-二-2-吡啶基-4H-1,2,4-三唑 以 甲醇 、 水 为溶剂， 生成 [Fe(4-amino-3,5-bis(pyridyl-2-yl)-1,2,4-triazole)2(tcpd)]
  参考文献：
  名称：

  Photoinduced HS state in the first spin-crossover chain containing a cyanocarbanion as bridging ligand

  摘要：

  在设计自旋交叉（SCO）化合物时，我们采用了一种基于氰基碳配体的新型聚合方法，并由此发现了[Fe(abpt)2(tcpd)] (1)（tcpd2- = (C[C(CN)2]3)2-, abpt = 4-氨基-3,5-双(吡啶-2-基)-1,2,4-三唑）化合物，该化合物是首个以氰基碳配体作为桥接配体的 SCO 分子链。

  DOI：

  10.1039/b902339a

文献信息

• Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands
  作者：Eric Milin、Sabrina Belaïd、Véronique Patinec、Smail Triki、Guillaume Chastanet、Mathieu Marchivie

  DOI：10.1021/acs.inorgchem.6b01542

  日期：2016.9.6

  intermolecular contacts in 1·MeOH and 1 reveals no significant hydrogen bonding between the dinuclear units, while in 2·MeOH these units are held together by significant hydrogen bonds between one of the uncoordinated nitrile groups and the anilate function, giving rise to 1D supramolecular structure. The three dinuclear complexes 1, 2·MeOH, and 2 exhibit SCO behaviors which have been evidenced by the thermal

  旋交叉（SCO）的Fe（II）式的双核配合物的[Fe 2（TMPA）2（μ 2 -TCPd）2 ]·0.8（CH 3 OH）（1·MeOH中）和[铁2（andmpa）2（ μ 2 -TCPd）2 ]·2CH 3 OH（2·MeOH中）（TMPA =三（2-吡啶基甲基）胺，andmpa =双（2-吡啶基甲基）氨基甲基）苯胺，（TCPD）2- = 2二氰基亚甲基1 （1,3,3-四氰基丙二胺）已被合成并通过红外光谱，X射线衍射和磁测量进行表征。两种配合物（1·MeOH和2·MeOH中）和去溶剂化的复杂1（从1·MeOH中）揭示了中性中心对称双核结构，其中（TCPD）2- cyanocarbanion充当双μ 2 2 [FEL]之间-bridging配体2+（L = TMPA （1）和（2））单元涉及两个自由的顺式构型位点。在1·MeOH和1中检测最短的分子间接触表明，在2·MeOH中双核单元之
• New Magnetic Copper(II) Coordination Polymers with the Polynitrile Ligand (C[C(CN)₂]₃)^2- and N-Donor Co-ligands
  作者：Smaïl Triki、Franck Thétiot、Fanny Vandevelde、Jean Sala-Pala、Carlos J. Gómez-García

  DOI：10.1021/ic050235h

  日期：2005.5.1

  Reactions between CuCl2 and K2tcpd (tcpd2- = [C10N6]2- = (C[C(CN)2]3)2-) in the presence of neutral co-ligands (bpym = 2,2'-bipyrimidine, and tn = 1,3-diaminopropane) in aqueous solution yield the new compounds [Cu2(bpym)(tcpd)2(H2O)4] x 2H2O (1), [Cu(tn)(tcpd)] (2), and [Cu(tn)2(tcpd)] x H2O (3), which are characterized by X-ray crystallography and magnetic measurements. Compound 1 displays a one-dimensional

  CuCl2和K2tcpd（tcpd2- = [C10N6] 2- =（C [C（CN）2] 3）2-）之间的反应在中性共配体（bpym = 2,2'-bipyrimidine，tn = 1,3-二氨基丙烷）在水溶液中生成新化合物[Cu2（bpym）（tcpd）2（H2O）4] x 2 （1），[Cu（tn）（tcpd）]（2）和[Cu（ tn）2（tcpd）] x （3），其特征在于X射线晶体学和磁性测量。化合物1显示一维结构，其中bpym配体以双螯合配位模式起作用，导致[Cu2（bpym）] 4+双核单元通过两个mu2-tcpd2-桥接配体连接。化合物2由通过mu4-tcpd2-配体连接的[Cu（tn）] 2+单元生成的三维结构组成。3的结构由通过产生无限之字形链的mu2-tcpd2-配体连接的中心对称平面[Cu（tn）] 2+单元组成。在化合物1和3中，tcpd2-单元的桥联
• The cyanocarbanion (C[C(CN)2]3)2− as monodentate ligand: Synthesis, structure and magnetic properties of [Mn2(bpym)3(tcpd)2(H2O)2] (tcpd2−=(C[C(CN)2]3)2− and bpym=2,2′-bipyrimidine)
  作者：Franck Thétiot、Smaïl Triki、Jean Sala-Pala、Stéphane Golhen

  DOI：10.1016/j.ica.2005.04.030

  日期：2005.7

  One-pot reaction between MnCl2 center dot 4H(2)O, K(2)tcpd (tcpd(2-) = [C10N6](2-) = (C[C(CN)(2)](3))(2-) = 2-dicyanomethylene-1,1,3,3-tetracyanopropanediide anion) and 2,2'-bipyriniidine (bpym = C8H6N4) in aqueous solution yields the new compound [Mn-2(bpym)(3)(tcpd)(2)(H2O)(2)] (1). The molecular structure of 1 consists of a centrosymmetrical binuclear complex which includes unprecedented unidentate tcpd ligands with two bidentate and a bis-chelate bpyrn units. Examination of the intermolecular distances reveals that the dinuclear units are held together by hydrogen bonds involving coordinated water molecules and two nitrile groups of the tcpd ligand, giving rise to a 2D structure overall. Variable-temperature magnetic susceptibility data show the occurrence of slight antiferromagnetic coupling (J = -0.58 cm(-1)) between the Mn(II) ions through bridging bpym (the exchange Hamiltonian being defined as (H) over cap = -2J (S) over cap (A)center dot(S) over cap (B)). (c) 2005 Elsevier B.V. All rights reserved.
• Organocyanide coordination chemistry: Syntheses, structural characterisations and magnetic properties of copper (II) complexes with a di-imine/pyridine ligand
  作者：Benoıˆt Le Gall、Françoise Conan、Nathalie Cosquer、Jean-Michel Kerbaol、Jean Sala-Pala、Marek M. Kubicki、Estelle Vigier、Carlos J. Gomez-Garcia、Philippe Molinié

  DOI：10.1016/j.ica.2005.02.011

  日期：2005.5

  The reactions between the copper (11) salts [CuXL]PF6 (L: 2,6-[1-(2,6-d iisopropylphenylimino)ethyl]pyridine) (X = Cl 1, X = Br 2) and LiTCNQ, in a DMF/water mixture, or Et3NH(TCNQ)(2), in acetone, produced the new complexes [CuXL(TCNQ)] (X = Cl 3, X = Br 4). For both compounds, crystallographic studies have clearly evidenced the existence of dimeric complexes [CuClL}(TCNQ)](2) owing to pi-pi overlap between two adjacent TCNQ(center dot-) radical anions. Compound 1 reacted with Et4N(C10N7) to afford the mononuclear derivative [CuC1L(C10N7)] (5), while its reaction with K2C10N6 produced the dinuclear complex [(CuClL)(2)(C10N6)] (6). The crystal structures of complexes 5 and 6 have been determined by X-ray crystallography. Magnetic studies have revealed that compound 6 displays weak antiferromagnetic interactions between the two metal centres, conversely compounds 3 and 5 exhibit purely paramagnetic behaviours. (c) 2005 Elsevier B.V.. All rights reserved.