在二二氧化中低旋转到低旋转的价值定体过渡
Max Mörtel1, Stephen J Goodner1, Johannes Oschwald2
1Department of Chemistry and Pharmacy, Friedrich-Alexander University Erlangen-Nürnberg (FAU), Egerlandstraße 1, 91058, Germany. marat.khusniyarov@fau.de.
Dalton transactions (Cambridge, England : 2003)
|February 5, 2024
概括
这项研究介绍了可热切换的二二氧化,在没有自旋状态变化的情况下表现出电子转移. 这揭示了协调化合物中罕见的电子状态过渡.
科学领域:
- 协调化学 协调化学
- 材料科学 材料科学 材料科学
- 旋转 交叉 旋转 交叉
背景情况:
- 二氧化是已知的可切换协调化合物,具有分子内电子转移和自旋状态变化.
- 可切换材料对于开发先进的电子和磁性设备至关重要.
研究的目的:
- 报告了可热切换二氧化的第一个实例,其中分子内电子转移发生而不会改变中心的自旋状态.
- 研究这些新型复合体中独特的电子状态转换.
主要方法:
- 新型二二氧化的合成和表征.
- 热分析用于研究切换行为.
- 探测电子状态和电子转移的光谱方法.
主要成果:
- 在二二氧化中证明了热切换与分子内电子转移,但抑制了自旋状态的变化.
- 确定了低旋转 (三) (半酸盐) 状态和不寻常的低旋转 (二) (半酸盐) 2状态之间的热过渡.
- 观察到一种明显的电子过渡,这种过渡通常不会在相关的系统中见到.
结论:
- 这些发现为二氧化中热切换提供了一个新的机制,将电子转移与自旋状态变化脱.
- 这项工作扩大了对协调化合物中自旋状态动态的理解,并为新的可切换材料开辟了道路.
相关概念视频
Colors and Magnetism
11.7K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
11.7K
Valence Bond Theory
8.6K
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...
8.6K
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)
1.0K
Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
1.0K
Spin–Spin Coupling: One-Bond Coupling
978
Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
978
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)
1.1K
Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the...
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the...
1.1K
Spin–Spin Coupling Constant: Overview
924
In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
924


