固体中单素的偏向碗方向
Yumi Yakiyama1,2, Minghong Li1, Dongyi Zhou1
1Division of Applied Chemistry, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan.
Journal of the American Chemical Society
|February 20, 2024
概括
研究人员合成了一种在溶液中改变形状的分子1-素. 溶剂选择控制其晶体结构,使同一化合物具有独特的介电性质.
科学领域:
- 有机化学
- 材料科学
- 超分子化学
背景情况:
- 曲的π结合分子具有独特的电子和结构性质.
- 苏曼烯衍生物以其碗状结构和潜在的应用而闻名.
研究的目的:
- 设计和合成一种新的化苏曼烯衍生物.
- 调查溶剂对二聚体比率和晶体包装的影响.
- 探索分子结构与介电性质之间的关系.
主要方法:
- 1-素的化学合成
- 实验性表征 (NMR,X射线结晶学).
- 理论计算 (DFT) 和分子动力学 (MD) 模拟.
主要成果:
- 成功合成1-fluorosumanene,表现出碗倒置并形成两个二聚体 (内和外).
- 由于溶解效应,结晶溶剂决定了单晶的内外比率.
- MD模拟显示了溶剂诱导的堆叠结构的延长.
结论:
- 在1-fluorosumanene晶体中依赖溶剂的二聚体比是可控的.
- 这种控制允许从单个分子中准备具有可调节介电反应的材料.
- 突出了溶剂工程在功能性有机材料设计中的重要性.
更多相关视频
06:44From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
69.1K
09:12Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering
Published on: June 1, 2016
9.2K
相关概念视频
Hybridization of Atomic Orbitals I
47.1K
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...
47.1K
Molecular Shape and Polarity
60.4K
Dipole Moment of a Molecule
60.4K
VSEPR Theory and the Effect of Lone Pairs
42.3K
Effect of Lone Pairs of Electrons on Molecule Geometry
42.3K
VSEPR Theory and the Basic Shapes
68.3K
Overview of VSEPR Theory
68.3K
Newman Projections
16.8K
Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as...
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as...
16.8K
Hybridization of Atomic Orbitals II
32.3K
sp3d and sp3d 2 Hybridization
32.3K
