copper(II) bisimidazolate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: copper(II) bisimidazolate
• 英文别名: copper(II) imidazolate；[Cu(imidazolate)]；[Cu(im)₂]；copper(C3H3N2)2；catena-bis(μ-imidazolate-N,N')copper(II)；copper imidazolate；[Cu(imidazole)2]n；Cu(imidazolate)2；[Cu(im)2]n
• 化学式: C₆H₆CuN₄
• 分子量: 197.686
• InChiKey: BNWJSMBJMIAGHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 重原子数：
  6.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.99
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  copper(II) bisimidazolate 260.0~300.0 ℃ 、0.6 Pa 条件下， 反应 7.0h， 以5%的产率得到triimidazo[1,2-a:1',2'-c:1'',5''-e][1,3,5]triazine
  参考文献：
  名称：

  Triazine Annelated NHC Featuring Unprecedented Coordination Versatility

  摘要：

  The new N-heterocyclic carbene ligand 3 is presented, which features both a weak sigma-donor and a pronounced pi-acceptor character. This electronic feature is realized by a side-on annelation of a bis(imidazo)triazine fragment. The coordination chemistry shows the ability of the species to act as a monodentate as well as a chelating and a bridging ligand. The last coordination mode is realized in the solid state of the complex [Rh(cod)(3)]BF4, in which three fragments are assembled around a BF4- fragment via anion-pi interactions with the triazine moieties.

  DOI：

  10.1021/acs.organomet.5b00805
• 作为产物：
  描述：

  (Cu(imidazole)2(CO3))*H2O 以 neat (no solvent, solid phase) 为溶剂， 生成 copper(II) bisimidazolate
  参考文献：
  名称：

  Extended Polymorphism in Copper(II) Imidazolate Polymers:  A Spectroscopic and XRPD Structural Study

  摘要：

  Copper(H) bisimidazolate affords five different polymorphs; of these, one was structurally characterized 40 years ago by standard single-crystal X-ray diffraction (Jarvis, J. A. J.; Wells, A. F. Acta Crystallogr. 1960, 13, 1027), while the remaining four, selectively prepared as pure polycrystalline phases, have been now studied by X-ray powder diffraction (XRPD) methods. Of the four new (blue, green, olive-green, and pink) phases, three were solved by the ab initio XRPD technique and refined by the Rietveld method, and the fourth phase (pink) could not be structurally characterized. Crystal data for [Cu(imidazolate)(2)](n): blue phase, a = 27.559(3) Angstrom, c = 5.3870(9) Angstrom, trigonal, R (3) over bar, Z = 54; green phase, a = 21.139(1) Angstrom, b = 19.080(1) Angstrom, c = 9.2842(8) Angstrom, orthorhombic, Ccca, Z = 20; olive-green phase, a = 11.7556(8) Angstrom, b 23.422(2) Angstrom, c = 9.0727(9) Angstrom, beta = 104.993(5)degrees, monoclinic, C2/c, Z = 12. All polymorphs contain four-coordinate CuN4 chromophores and (N,N')-exobidentate imidazolate ligands, but show different spectroscopic and structural properties, the latter ranging from 2D to different 3D networks of the PtS, sodalite, and moganite archetypes. The intermediacy of the [Cu(imidazole)(2)CO3].H2O species in the synthesis of the blue polymorph has been confirmed by spectroscopic and thermal analyses. FTIR, Raman, and electronic spectra were correlated with the structural features revealed in the present work, and used to gain insight into the coordination geometry of copper(II) ions of the pink polymorph. In addition, the correct Raman spectrum for copper(II) bisimidazolate, common for all polymorphs, has been definitely determined.

  DOI：

  10.1021/ic010384+
• 作为试剂：
  描述：

  叔丁基过氧化氢 在 copper(II) bisimidazolate 作用下， 生成 叔丁醇
  参考文献：
  名称：

  Cu-MOF通过甲酰胺，醛和醚的直接C–H活化，作为氧化C–O键偶联反应的活性，选择性和可重复使用的催化剂†

  摘要：

  具有氮杂杂环化合物（即嘧啶[Cu（2-pymo）2 ]和咪唑[Cu（im）2 ] ）的四个氮原子连接有Cu 2+中心的MOF是活性，稳定且可重复使用的氧化C-O偶联催化剂通过甲酰胺，醛和醚的直接C–H活化反应。测得的催化活性明显优于其他均相的铜盐，特别是对于[Cu（im）2 ] MOF。先前报道的Cu 2+中心对枯烯氧化的活性允许将MOF用作双官能催化剂，用于O 2进行烯烃环氧化。整个催化过程包括一个级联反应，其中Cu-MOF首先产生枯基氢过氧化物，然后相同的Cu 2+中心使用产生的氢过氧化物作为氧化剂催化氧化C-O偶联反应。

  DOI：

  10.1039/c4cy00032c

文献信息

• Coexistence of Cu(<scp>ii</scp>) and Cu(<scp>i</scp>) in Cu ion-doped zeolitic imidazolate frameworks (ZIF-8) for the dehydrogenative coupling of silanes with alcohols
  作者：Yan Dai、Peng Xing、Xiaoqin Cui、Zhihong Li、Xianming Zhang

  DOI：10.1039/c9dt03181b

  日期：——

  Recently, metal-ion-doped zeolitic imidazolate frameworks have gained considerable attention for their structure tailorability and potential catalytic applications. Herein, Cu ion-doped ZIF-8 nanocrystals were successfully prepared by the mechanical grinding of Cu(NO3)2, ZnO and 2-methylimidazole (HMeIM) using ethanol as an additive. In contrast to the general view that only Cu(II) is present in Cu-doped

  最近，金属离子掺杂的咪唑沸石骨架因其结构的可调节性和潜在的催化应用而受到了广泛的关注。在此，通过使用乙醇作为添加剂对Cu（NO 3）2，ZnO和2-甲基咪唑（HMeIM）进行机械研磨，成功制备了Cu离子掺杂的ZIF-8纳米晶体。与一般的观点相反，在掺Cu的ZIF-8中仅存在Cu（II），我们发现这种材料中Cu（II）和Cu（I）共存，这受到XPS和X射线诱导的支持。俄歇电子能谱（XAES）表征。此外，乙醇可能已起还原剂的作用，诱导了Cu（II）。由于Cu离子的混合价，掺杂Cu离子的ZIF-8纳米晶体在硅烷与醇的脱氢偶联中表现出优异的催化性能。
• Proton Transfer in Solid State: Mechanochemical Reactions of Imidazole with Metallic Oxides
  作者：José Fernández-Bertrán、Lila Castellanos-Serra、H. Yee-Madeira、Edilso Reguera

  DOI：10.1006/jssc.1999.8417

  日期：1999.11

  Mechanochemical reactions of crystalline imidazole with 23 metallic oxides have been studied by milling in a mortar and in ball mill vibrators of low and high mechanical intensity. The reactions were monitored by Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) techniques. ZnO, HgO, Ag2O, and Cu2O react rather readily in the mortar, forming the corresponding imidazolates but

  结晶的咪唑与23种金属氧化物的机械化学反应已通过在低强度和高机械强度的研钵和球磨机振动器中研磨进行了研究。通过傅里叶变换红外光谱（FTIR）和X射线衍射（XRD）技术监测反应。ZnO，HgO，Ag 2 O和Cu 2 O在研钵中相当容易反应，形成相应的咪唑化物，但CdO，Ga 2 O 3和In 2 O 3需要进行强烈的机械铣削才能进行转化。CuO和NiO不会立即反应，但经过几个月的老化后会变成蓝色。Mg（II），Ca（II），Be（II），Al（III），Fe（II），Co（II），Co（III），Pb（II），Eu（III），Ce（ III），Bi（III），Ti（IV），Zr（IV）和Sn（IV）即使在强力研磨数小时后仍对咪唑呈惰性。
• Development of Efficient Copper‐Based MOF‐Derived Catalysts for the Reduction of Aromatic Nitro Compounds
  作者：Özlem Karahan、Emre Biçer、Adnan Taşdemir、Alp Yürüm、Selmiye Alkan Gürsel

  DOI：10.1002/ejic.201701320

  日期：2018.3.7

  methods. After characterization, the catalysts Cu/Cu2O@C and Cu@N-C were catalytically tested for the reduction reactions of various aromatic nitro compounds chemically by monitoring via a UV-vis spectrometer. Both catalysts exhibited remarkable results compared with those in the literature. Also, the Cu/Cu2O@C catalyst showed better results than the Cu@N-C catalyst.

  合成了两种铜基 Cu3(btc)2 和 Cu(Im)2 金属有机骨架并退火形成纳米多孔 Cu/Cu2O@C 和 Cu@NC 纳米颗粒，用作芳香硝基化合物还原为芳香胺的催化剂. 所有合成的 MOF 化合物和 MOF 衍生的纳米粒子都使用 XRD、拉曼、TGA、SEM-EDX 和 XPS 方法进行表征。此外，MOF 衍生的 Cu/ @C 和 Cu@NC 纳米粒子的孔径分布和表面积通过 BJH 和 BET 方法进行了表征。表征后，通过紫外-可见光谱仪监测催化剂Cu/ @C和Cu@NC对各种芳香硝基化合物的化学还原反应进行催化测试。与文献中的催化剂相比，两种催化剂都表现出显着的效果。还，
• Alcoholysis/hydrolysis of 1,1′-carbonyldiimidazole as a means of preparing unprecedented, imidazole-containing one-dimensional coordination polymers of copper(II)
  作者：Theocharis C. Stamatatos、Spyros P. Perlepes、Catherine P. Raptopoulou、Aris Terzis、Costas S. Patrickios、Anastasios J. Tasiopoulos、Athanassios K. Boudalis

  DOI：10.1039/b900716d

  日期：——

  MeCO(2)(-), in MeOH/H(2)O the product is the new, 1D linear coordination polymer [Cu(tp)(Him)(2)(H(2)O)](n).2nH(2)O (.2nH(2)O). Adjacent square pyramidal Cu(II) atoms are singly bridged by the bis-monodentate tp(2-) ligand, while two monodentate Him groups and one H(2)O molecule complete five-coordination at each metal centre. The chains of and .2nH(2)O form interesting, hydrogen-bonded 3D networks. The combined

  描述了使用1,1'-羰基二咪唑（im）（2）CO合成咪唑盐（im（-））和/或含咪唑（Him）的铜（II）配位聚合物。[Cu（2）（O（2）CMe）（4）（H（2）O）（2）] /（im）（2）CO反应体系在EtOH中产生新的聚合物种类[Cu（O（2 ）CMe）（im）（Him）（EtOH）]（n）（）和已知化合物[Cu（im）（2）]（n）（），具体取决于反应条件。提出了（im）（2）CO的醇解/水解机理。配合物包含中性，之字形链，其中eta（1）：eta（1）：mu im（-）配体桥接两个相邻的Cu（II）原子。每个方形锥体金属中心与两个咪唑氮原子，末端咪唑配体的吡啶型氮原子，一个乙酸氧原子和乙醇氧原子配位。根据Bonner-Fisher模型分析了等间距S = 1/2链的dc磁化率数据，揭示了中等的反铁磁Cu（II）Cu（II）交换相互作用（J = -33.5 cm（-1）使用H = -2J求和运算符S（i）S（i
• WO2007/87434
  申请人：——

  公开号：——

  公开（公告）日：——