NaRb6(B4O5(OH)4)3(BO2) 具有非中心对称性,性和线性阳离子组BO2
Fenghua Ding1, Kent J Griffith1, Weiguo Zhang2
1Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States.
Journal of the American Chemical Society
|February 22, 2023
概括
研究人员合成了一种新型的性酸盐,NaRb6(B4O5(OH)4)3(BO2),具有罕见的线性[BO2]单元. 这一发现扩展了非中心对称 (NCS) 材料,并突出了非线性光学 (NLO) 研究中被忽视的体.
科学领域:
- 材料科学
- 固态化学
- 晶体学
背景情况:
- 非中心对称 (NCS) 结构对于铁电和非线性光学 (NLO) 等特性至关重要.
- 奇拉材料具有独特的极化旋转和拓特性.
- 酸盐通常使用[BO3]和[BO4]单元形成NCS和奇拉结构,但在奇拉化合物中以前没有报告过线性[BO2]单元.
研究的目的:
- 合成和描述一种具有线性[BO2]单位的新型金属酸盐.
- 调查新化合物的结构特征和性.
- 扩大NCS材料的范围,并解决NLO材料中被忽视的反体问题.
主要方法:
- 混合金属酸盐的合成,NaRb6(B4O5(OH)4)3(BO2).
- 结晶学表征以确定结构和空间组 (三角形R32).
- 分析基本结构单元 (BBU) 和杂化 (sp,sp2和sp3).
主要成果:
- 成功合成和表征了NCS和奇拉酸NaRb6(B4O5(OH)4)3(BO2).
- 该结构包含三种单位:线性[BO2],三角形[BO3]和四面体[BO4.
- 已确定该化合物的两个反体,在Sohncke空间组R32中结晶.
结论:
- 这一发现扩大了含有罕见线性[BO2]单元的有限的NCS结构.
- 这项工作强调了在NLO材料开发中考虑Sohncke空间组中的反体的重要性.
- 这些发现有助于更深入地了解酸盐材料的结构性质关系.
相关概念视频
VSEPR Theory and the Basic Shapes
68.8K
Overview of VSEPR Theory
68.8K
Regioselectivity and Stereochemistry of Hydroboration
8.3K
A significant aspect of hydroboration–oxidation is the regio- and stereochemical outcome of the reaction.
Hydroboration proceeds in a concerted fashion with the attack of borane on the π bond, giving a cyclic four-centered transition state. The –BH2 group is bonded to the less substituted carbon and –H to the more substituted carbon. The concerted nature requires the simultaneous addition of –H and –BH2 across the same face of the alkene giving syn...
Hydroboration proceeds in a concerted fashion with the attack of borane on the π bond, giving a cyclic four-centered transition state. The –BH2 group is bonded to the less substituted carbon and –H to the more substituted carbon. The concerted nature requires the simultaneous addition of –H and –BH2 across the same face of the alkene giving syn...
8.3K
VSEPR Theory and the Effect of Lone Pairs
42.7K
Effect of Lone Pairs of Electrons on Molecule Geometry
42.7K
Valence Bond Theory
8.9K
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...
8.9K
Ionic Crystal Structures
14.5K
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...
14.5K
Hybridization of Atomic Orbitals I
47.5K
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
47.5K


