在Halopnictides中的结构对称性和混合离子工程,用于非凡的第二和生成
Yi-Bing Huang1,2, Bin-Wen Liu1,3, Wen-Lin Wu1
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research of the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, P.R. China.
Angewandte Chemie (International ed. in English)
|December 18, 2025
概括
开发新的非线性光学 (NLO) 材料具有挑战性. 这项研究通过调整对称性和离子来设计具有增强的第二和生成 (SHG) 的宿主-客户端halopnictides,显示了NLO应用的前景.
科学领域:
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
- 非线性光学是非线性光学.
背景情况:
- 在NLO材料中实现高非线性光学 (NLO) 系数是一个重大挑战.
- 现有的NLO材料通常在性能和适用性方面面临限制.
- 开发具有优越性质的新型NLO材料对于先进的光学技术至关重要.
研究的目的:
- 为了设计具有增强非线性光学特性的新型宿主-客体.
- 研究结构对称性和混合离子工程对NLO系数的影响.
- 探索这些新材料在实际NLO应用中的潜力.
主要方法:
- 基于 [Cd4P2] 灵活的宿主孔隙框架的宿主-客体皮菌的合成.
- 使用结构对称性和混合离子工程策略.
- 嵌入不同的四面体单位作为客物种来指导结构.
- 晶体结构的表征,第二生成 (SHG) 响应,激光诱导损伤值 (LIDT) 和红外传输率.
主要成果:
- 成功合成了五种新的宿主-客人基:[Cd4P2][ZnCl4],[Cd4P2][MnCl4],[Cd4P2][ZnBr4],[Cd4P2][Mn0.6Cd0.4Br4],以及[Cd4P2][ZnCl3I].
- 通过调整宿主框架孔隙性和通过混合离子调制构建可极化多面体,可以实现显著增强的SHG反应,达到AgGaS2 (在1700nm) 的6.6倍.
- 获得了[Cd4P2][ZnBr4]的毫米大小的单晶,显示出强烈的SHG反应 (2.5 × AgGaS2),高LIDT (3.0 × AgGaS2在1064 nm) 和宽红外传导率 (2.5-14.9 μm).
结论:
- 结构对称性和混合离子工程的联合策略在开发高性能NLO材料方面是有效的.
- [Cd4P2][ZnBr4]由于其优异的SHG,LIDT和IR透明度,显示出作为一个有前途的NLO材料的巨大潜力.
- 这项工作为先进的NLO材料的合理设计提供了宝贵的见解和新的途径.
相关概念视频
Stereoisomerism
13.8K
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...
13.8K
Ionic Crystal Structures
16.7K
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...
16.7K
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
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
Hybridization of Atomic Orbitals II
47.5K
sp3d and sp3d 2 Hybridization
47.5K
Chirality at Nitrogen, Phosphorus, and Sulfur
6.8K
Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
6.8K


