的晶体工程 (((ii) 协调网络由亚利法二碳酸链接体连接体维持
Bharti Singh1, Tao He1, Michael J Zaworotko1
1Department of Chemical Sciences, Bernal Institute, University of Limerick V94 T9PX Republic of Ireland xtal@ul.ie.
概括
本研究探讨了使用异形二碳酸盐链接器的 (II) 协调网络 (CN),揭示了它们对网络拓学的重大影响. 该研究合成了新的CN,并分析了数据库趋势,以了解链接器对结构的影响.
科学领域:
- 协调化学 协调化学
- 材料科学 材料科学 材料科学
- 晶体学 晶体学是指结晶学.
背景情况:
- 与芳香链接剂相比,在协调网络 (CNs) 中,阿利法二碳酸盐链接剂的探索较少.
- 了解链接效应对于设计具有特定拓和属性的新型CN至关重要.
研究的目的:
- 为了合成和表征新的 (II) 协调网络,使用酸二碳酸盐链接剂.
- 为了研究形二碳酸盐链接器对协调网络拓学的影响.
- 分析现有协调网络数据库中关于链接器组成和拓学的趋势.
主要方法:
- 三个 () 协调网络的合成:[ () ],[ () ],[ () ]和[ () ]·H2O.
- 使用单晶X射线衍射进行表征,以确定网络结构和拓.
- 计算分析和剑桥结构数据库 (CSD) 挖掘了222个已存档的CN.
主要成果:
- 三种新的 ((II) CNs已成功合成并进行结构特征.
- 由此产生的CN表现出基于 (II) 节点的正方形格子 (sql) 和金刚形 (dia) 拓.
- 数据库分析显示,阿里法二碳酸盐始终影响着拓,有利于像柱状轮网中的"rob"这样的特定结构.
结论:
- 阿利法二碳酸盐链接器在决定协调网络拓学方面发挥着重要作用.
- 选择链接器可以导致可预测的拓结果,特别是在特定类型的网络中,如支柱式轮.
- 这项研究为合理设计具有所需结构特征的协调网络提供了宝贵的见解.
相关概念视频
Crystal Field Theory - Octahedral Complexes
30.5K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
30.5K
Crystal Field Theory - Tetrahedral and Square Planar Complexes
48.0K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
48.0K
Metal-Ligand Bonds
23.9K
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
23.9K
Structural Isomerism
21.4K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
21.4K
Coordination Number and Geometry
18.8K
For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
18.8K
Valence Bond Theory
11.1K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.1K


