在结合共晶中电荷转移相互作用的合理设计,以实现多功能固态光电子
Weigang Zhu1,2, Renhui Zheng1, Yonggang Zhen1
1Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190, P. R. China.
Journal of the American Chemical Society
|July 31, 2015
概括
共同晶体中的电荷转移相互作用由分子包装控制,影响光电子特性. 晶体工程允许调整这些相互作用以开发先进的有机电子设备.
科学领域:
- 材料科学
- 有机电子
- 固态物理
背景情况:
- 电荷转移 (CT) 相互作用和激子动态对于有机光电子器件至关重要,但对它们的理解尚不充分.
- 了解分子组合,结构,CT相互作用和特性之间的关系是设计新材料的关键.
研究的目的:
- 研究和比较两个素结合的共晶体的自我组装,分子堆叠,CT相互作用和物理化学特性.
- 为合理的材料设计建立一个明确的"组装结构-CT属性"关系.
- 探索控制CT相互作用和光电子属性的晶体工程策略.
主要方法:
- 合成和表征两个结合的共晶体:Bpe-IFB和Bpe-F4DIB.
- 分子堆叠结构的分析 (分离与混合).
- 密度函数理论 (DFT) 计算以了解电子结构和CT相互作用.
- 光发光 (PL) 光谱和其他物理化学测量.
主要成果:
- Bpe-IFB晶体呈现分离堆叠,导致CT基和激发状态,作为CT1激发子强紫蓝色PL (ΦPL=26.1%) 的准-1D半导体.
- Bpe-F4DIB晶体显示混合堆叠,没有CT相互作用,表现为具有白光发射和二维光波导特性的绝缘体.
- 组件的内在光谱状态在结晶后保持不变,这表明了白光发射器的新设计原理.
- 可通过晶体工程调节CT相互作用,直接影响光电子特性.
结论:
- 分子包装显著影响CT相互作用,从而影响有机共晶的光电子特性.
- 晶体工程提供了一个强大的工具来控制CT相互作用,并为特定应用量身定制材料特性.
- 这项工作为合理设计具有所需光电子功能的有机DA系统提供了框架.
相关概念视频
02:58Crystal Field Theory - Octahedral Complexes
31.9K
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...
31.9K
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
49.8K
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,...
49.8K
02:42Valence Bond Theory
11.7K
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...
11.7K
02:45Valence Bond Theory
51.6K
Overview of Valence Bond Theory
51.6K
02:42Ionic Crystal Structures
21.2K
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...
21.2K
02:48Ionic Bonding and Electron Transfer
54.3K
Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.
54.3K