在分子矿类似物中激活的禁止倾斜
Samuel G Duyker1,2, Joshua A Hill1, Christopher J Howard3
1Department of Chemistry, University of Oxford , Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR, U.K.
Journal of the American Chemical Society
|August 18, 2016
概括
研究人员通过观察 (NH4) 2SrFe ((CN) 6·2H2O中禁止的八面体倾斜模式,发现了一种控制矿材料扭曲的新方法,为材料工程开辟了新的途径.
科学领域:
- 材料科学
- 晶体学
- 固态化学
背景情况:
- 矿结构对于各种应用至关重要,控制它们的扭曲是调整材料特性的关键.
- 已建立的八面体倾斜规则控制了矿的结构,限制了可预测的操纵.
- 了解扭曲机制对于设计先进材料至关重要.
研究的目的:
- 为了证明违反既定的八面体倾斜规则在双矿类似物.
- 在固体材料中探索新的扭曲机制.
- 通过化学修饰扩展工程对称性破坏过程的技术.
主要方法:
- 对双矿类似物 (NH4) 2SrFe ((CN) 6·2H2O) 的研究.
- 对八面体倾斜模式和协调环境扭曲的分析.
- 探索水分驱动的雅恩-泰勒类扭曲.
主要成果:
- 在 (NH4) 2SrFe ((CN) 6·2H2O中观察到禁止的八面体倾斜模式,违反了既定的规则.
- 确定了水化驱动的扭曲和Sr协调环境之间的合是原因.
- 在矿类似物中展示了一种新的扭曲机制.
结论:
- 观察到的禁止倾斜模式为矿的结构灵活性提供了新的见解.
- 新的扭曲机制可以通过化学修饰来获取和控制.
- 这项工作扩大了工程对称性破碎的工具箱.
相关概念视频
Crystal Field Theory - Tetrahedral and Square Planar Complexes
49.4K
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 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,...
49.4K
Crystal Field Theory - Octahedral Complexes
31.5K
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...
31.5K
Valence Bond Theory
11.5K
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...
11.5K
ortho–para-Directing Deactivators: Halogens
7.1K
Halogens are ortho–para directors. They are more electronegative than carbon. Therefore, as ring substituents, they can withdraw electrons through the inductive effect and deactivate the aromatic ring towards electrophilic substitution. Halogens also have an electron-donating resonance effect on the ring, which influences the orientation of the incoming electrophile. If an electrophile attacks at the ortho or the para position, the halogen donates electrons and stabilizes the intermediate...
7.1K
Colors and Magnetism
14.4K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
14.4K
Ligand-Gated Ion Channel Receptor: Gating Mechanism
4.6K
Ligand-gated ion channels are transmembrane proteins that play a vital role in intercellular communication and functions of the nervous system. They allow the influx of ions across the membrane once the neurotransmitter binds, allowing the subsequent transmission of electrical excitation across the neurons. Other ligand-gated ion channels, like the γ-aminobutyric acid (GABA) receptor, permit anions like chloride into the cells on the binding of the GABA molecule. Their entry into the cell...
4.6K


