在宾客结合过程中,Pyrene-edged Fe(II) 4L6子适应性地重新配置
Tanya K Ronson1, Aaron B League, Laura Gagliardi
1Department of Chemistry, University of Cambridge , Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Journal of the American Chemical Society
|October 29, 2014
概括
两个铁的铁表现出不同的客人绑定行为. 一个子选择性地结合了像富勒伦这样的大型疏水分子,而另一个子具有多孔结构,对中性客人没有亲和力.
科学领域:
- 超分子化学 超分子化学
- 材料科学 材料科学 材料科学
- 有机化学 有机化学
背景情况:
- 金属有机 (MOCs) 是具有可调节性质的多功能超分子结构.
- 基于Pyrene的配体为MOC设计提供了独特的光物理和结构特征.
- 同位体支架可以导致不同的腔环境和客人相互作用.
研究的目的:
- 调查二烯异构对Fe4L6的结合性质的影响.
- 为了探索对大型疏水分子的pyrene-edged的封装能力.
- 了解异构中的差异性客人识别的分子基础.
主要方法:
- 两种Fe4L6的合成使用异构 bis(4-氨基) 烯衍生物,2-甲基胺和铁(II).
- 用富勒 (C60,C70),多环芳和类固醇进行客体封装研究.
- 谱分析和密度函数理论 (DFT) 计算以研究结合相互作用和能量差异.
主要成果:
- 这种1,6-烯基支架有效地封装了大型疏水性客人,包括富勒和类固醇.
- 添加C60和C70诱导了体二聚体的重新平衡,以增强结合亲和力.
- 2,7-皮林基架体表现出更多孔的结构,对中性疏水的客人没有亲和力.
- DFT计算合理化了观察到的C60结合在子二体内的能量差异.
结论:
- 烯支架同位素极大地决定了Fe4L6的腔体大小和客体选择性.
- 铁4L6可以设计用于选择性捕获大型疏水分子,在分离和储存方面有潜在的应用.
- 计算方法对于理解和预测复杂的超分子系统中的客相互作用是有价值的.
更多相关视频
04:51Author Spotlight: Functionalizing Metal-Organic Frameworks: Advancements, Challenges, and the Power of Post-Synthetic Ligand Exchange
Published on: June 23, 2023
3.9K
10:52Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
2.7K
相关概念视频
02:42Valence Bond Theory
8.8K
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...
8.8K
02:58Crystal Field Theory - Octahedral Complexes
28.3K
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...
28.3K
01:19Complexation Equilibria: The Chelate Effect
1.7K
In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
1.7K
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
47.4K
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...
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...
47.4K
02:51Metal-Ligand Bonds
19.2K
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...
19.2K
00:49Ligand Binding and Linkage
4.4K
Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked. In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
4.4K