[ammonium][Zn(II)(formate)3]

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [ammonium][Zn(II)(formate)3]
• 英文别名: [ammonium][Zn(formate)3]；Azanium;ZINC;formate
• 化学式: 3CHO₂*H₄N*Zn
• 分子量: 218.482
• InChiKey: XZERARMBHRXHFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.26
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  zinc perchlorate 、 ammonium formate 在 formic acid 作用下， 以 甲醇 为溶剂， 生成 [ammonium][Zn(II)(formate)3]
  参考文献：
  名称：

  Disorder−Order Ferroelectric Transition in the Metal Formate Framework of [NH₄][Zn(HCOO)₃]

  摘要：

  A three-dimensional chiral metal formate framework compound, [NH4][Zn(HCOO)(3)], undergoes a paraelectric-ferroelectric phase transition at 191 K triggered by the disorder-order transition of NH4+ cations within the structure.

  DOI：

  10.1021/ja104263m

文献信息

• Ferroelectric metal organic framework (MOF)
  作者：Min Guo、Hong-Ling Cai、Ren-Gen Xiong

  DOI：10.1016/j.inoche.2010.09.005

  日期：2010.12

  Multiferroic metal organic frameworks (MOFs) with magnetic ordering and ferroelectric ordering coexisting have recently drawn considerable interest for their amazing applications in the field of magnetoelectric multifunctional materials. Based on the Landau theory and related characterizations, this comment in detail discusses the second-order ferroelectric phase transition of ABO 3 perovskite-type MOFs, including

  摘要 具有磁性有序和铁电有序共存的多铁性金属有机骨架（MOFs）最近因其在磁电多功能材料领域的惊人应用而引起了相当大的兴趣。本评论基于Landau理论及相关表征，详细讨论了ABO 3 钙钛矿型MOFs的二阶铁电相变，包括居里-魏斯常数、对称破坏、自发极化、介电滞后回线等。最后，作者对铁电MOFs的发展进行了展望。该微型账户将对具有特定多铁性的金属有机骨架功能材料的设计和合成具有指导意义。
• Temperature- and Pressure-Induced Phase Transitions in the Metal Formate Framework of [ND₄][Zn(DCOO)₃] and [NH₄][Zn(HCOO)₃]
  作者：Mirosław Mączka、Paweł Kadłubański、Paulo Tarso Cavalcante Freire、Bogusław Macalik、Waldeci Paraguassu、Krysztof Hermanowicz、Jerzy Hanuza

  DOI：10.1021/ic501074x

  日期：2014.9.15

  Vibrational properties and the temperature-induced phase transition mechanism have been studied in [NH4][Zn(HCOO)(3)] and [ND4][Zn(DCOO)(3)] metal organic frameworks by variable-temperature dielectric, IR, and Raman measurements. DFT calculations allowed proposing the detailed assignment of vibrational modes to respective motions of atoms in the unit cell. Temperature-dependent studies reveal a very weak isotopic effect on the phase transition temperature and confirm that ordering of ammonium cations plays a major role in the mechanism of the phase transition. We also present high-pressure Raman scattering studies on [ND4][Zn(DCOO)(3)]. The results indicate the rigidity of the formate ions and strong compressibility of the ZnO6 octahedra. They also reveal the onset of a pressure-induced phase transition at about 1.1 GPa. This transition has strong first-order character, and it is associated with a large distortion of the metal formate framework. Our data indicate the presence of at least two nonequivalent formate ions in the high-pressure structure with very different C-D bonds. The decompression experiment shows that the transition is reversible.
• Coexistence of Magnetic and Electric Orderings in the Metal–Formate Frameworks of [NH₄][M(HCOO)₃]
  作者：Guan-Cheng Xu、Wen Zhang、Xiao-Ming Ma、Yi-Hong Chen、Li Zhang、Hong-Ling Cai、Zhe-Ming Wang、Ren-Gen Xiong、Song Gao

  DOI：10.1021/ja206891q

  日期：2011.9.28

  A family of three-dimensional chiral metal formate frameworks of [NH4][M(HCOO)(3)] (M = Mn, Fe, Co, Ni, and Zn) displays paraelectric to ferroelectric phase transitions between 191 and 254 K, triggered by disorder order transitions of NH4+ cations and their displacement within the framework channels, combined with spin-canted antiferromagnetic ordering within 8-30 K for the magnetic members, providing a new class of metal-organic frameworks showing the coexistence of magnetic and electric orderings.