在一个一维的分子阵列中,局部探针诱导的结构异构化
Shigeki Kawai1,2, Orlando J Silveira3, Lauri Kurki3
1Center for Basic Research on Materials, National Institute for Materials Science, Tsukuba, Ibaraki, Japan. KAWAI.Shigeki@nims.go.jp.
Nature communications
|November 25, 2023
概括
研究人员在有机金属化合物中创建了奇拉性脱酸和二基单位. 实现了受控的异构化和旋转过渡,为先进的分子装置铺平了道路.
科学领域:
- 有机金属化学 有机金属化学
- 表面科学是一门学科.
- 分子电子学分子电子学
背景情况:
- 分子阵列中的定制立体异构体对于分子光学,电子和磁性设备至关重要.
- 控制局部数组结构是功能性质的关键.
研究的目的:
- 展示脱水素同位素和二基单元的构造和特征.
- 在表面上研究受控的结构异构.
- 探索迪拉基部分的磁性特性.
主要方法:
- 低温扫描道显微镜 (STM) 用于结构操作和表征.
- 密度函数理论 (DFT) 计算用于理论见解.
- 尖端诱导的电压脉冲用于诱导化学转换.
主要成果:
- 通过C-Br键裂变形成二极端物种,然后转化为奇拉性脱水素部分.
- 使用STM,在迪拉基和脱水烯立体异构体之间进行受控的定向异构.
- 理论预测一个开的单片二基与反铁磁合,能够旋转过渡.
结论:
- 在表面上实现复杂分子单元的控制合成和操纵.
- 已经证明了表面异构和旋转状态控制的潜力.
- 突出了局部结构和电子特性在设计分子设备中的作用.
相关概念视频
¹H NMR: Long-Range Coupling
1.8K
The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene...
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene...
1.8K
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
852
At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
852
[3,3] Sigmatropic Rearrangement of 1,5-Dienes: Cope Rearrangement
2.7K
The Cope rearrangement is classified as a [3,3] sigmatropic shift in 1,5-dienes, leading to a more stable, isomeric 1,5-diene. The reaction involves a concerted movement of six electrons, four from two π bonds and two from a σ bond, via an energetically favorable chair-like transition state.
2.7K
Stereoisomerism of Cyclic Compounds
8.9K
In this lesson, we delve into the role of ring conformation and its stability, which determines the spatial arrangement and, consequently, the molecular symmetry and stereoisomerism of cyclic compounds. 1,2-Dimethylcyclohexane is used as a case study to evaluate the possible number of stereoisomers. Here, given the multiple (n = 2) chiral centers, there are 2n = 4 possible configurations that lack a plane of symmetry, as the ring skeleton exists in a non-planar chair conformation. In addition,...
8.9K
Structural Isomerism
19.2K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
19.2K
π Electron Effects on Chemical Shift: Overview
1.1K
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
1.1K


