非中心对称MZnPO (M = K,NH) 的合成,结构和特征
Jiawei Zhao1, Wei Wei1, Meihui Chen1
1Changji University, Changji 831100, China. adhcjxy@163.com.
Dalton transactions (Cambridge, England : 2003)
|November 7, 2024
概括
合成了新的非中心对称酸盐,KZnPO4和NH4ZnPO4,它们显示出有前途的第二波生成 (SHG) 特性. 这项研究研究了氧四面体对它们的光学反应的影响.
科学领域:
- 固态化学 固态化学
- 材料科学 是一种材料科学.
- 晶体学 晶体学是指结晶学.
背景情况:
- 非中心对称 (NCS) 材料对于非线性光学至关重要.
- 酸 (KZnPO4) 和酸 (NH4ZnPO4) 是一种新的化合物.
研究的目的:
- 通过固态反应合成和描述KZnPO4和NH4ZnPO4.
- 研究这些化合物的晶体结构和第二生成 (SHG) 特性.
- 了解ZnO4四面体对SHG反应的影响.
主要方法:
- 固态反应合成.
- 单晶X射线衍射用于结构分析.
- 测量第二波 (SHG) 测量.
- 电子结构和SHG密度计算.
主要成果:
- 已经成功合成了KZnPO4和NH4ZnPO4,它们具有同结构,在非中心对称的P63空间群中结晶.
- 这两种化合物都表现出SHG反应,NH4ZnPO4与KZnPO4 (0.4xKDP) 相比,显示出更强的反应 (1xKDP).
- 分析揭示了ZnO4四面体对观察到的SHG属性的显著贡献.
结论:
- KZnPO4和NH4ZnPO4是新的非中心对称酸盐材料,在非线性光学中具有潜在的应用.
- 结构框架和ZnO4四面体的存在在确定它们的SHG效率方面发挥着关键作用.
- 对类似酸盐结构的进一步研究可能会产生先进的光学材料.
相关概念视频
Coordination Number and Geometry
15.6K
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.
15.6K
Valence Bond Theory
8.5K
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...
8.5K
Ionic Crystal Structures
14.1K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.1K
Stereoisomerism
11.8K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
11.8K
Colors and Magnetism
11.6K
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...
11.6K
Crystal Field Theory - Tetrahedral and Square Planar Complexes
41.6K
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,...
41.6K


