原子道在一个同人体的环境中
Fan Xie1, Wenhao Sun1, Beppo Hartwig2
1Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607, Hamburg, Germany.
Angewandte Chemie (International ed. in English)
|July 19, 2023
概括
协同的原子道化在同质基的跨-1,2-环二醇二元体中导致双极矩逆转. 这与异构体二次体形成鲜明对比,揭示了奇拉性.
科学领域:
- 物理化学 物理化学
- 分子光谱学 分子光谱学
- 奇拉性研究 奇拉性研究
背景情况:
- 了解分子间键的动态对于分子相互作用至关重要.
- 奇拉性显著影响了凝结相中的分子行为和相互作用.
研究的目的:
- 描述在同体基的跨-1,2-环二醇二元体中原子的协同扭转运动.
- 为了研究性对原子移位和分子间动态的影响.
主要方法:
- 宽带旋转光谱被用来探测分子结构和动力学.
- 理论建模被用来补充实验数据和解释运动.
主要成果:
- 协同原子道化导致双极时刻元件的信号反转.
- 这种运动与键断裂/改造和接受器切换相结合.
- 在地面振动状态之间的能量差异确定为29.003(2) MHz.
结论:
- 原子在同质二次体中的等效潜力井中脱局.
- 这种行为与异构体二次体形成鲜明对比,突出显示了换逆对称的作用.
- 研究结果提供了关于奇拉性对分子间相互作用和动态的影响的见解.
相关概念视频
Hydrogen Bonds
8.7K
A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
8.7K
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
3.4K
Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
3.4K
Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration
8.5K
The rate of acid-catalyzed hydration of alkenes depends on the alkene's structure, as the presence of alkyl substituents at the double bond can significantly influence the rate.
8.5K
¹H NMR Chemical Shift Equivalence: Enantiotopic and Diastereotopic Protons
1.8K
Replacing each alpha-hydrogen in chloroethane by bromine (or a different functional group) yields a pair of enantiomers. Such protons are called prochiral or enantiotopic and are related by a mirror plane. Enantiotopic protons are chemically equivalent in an achiral environment. Because most proton NMR spectra are recorded using achiral solvents, enantiotopic hydrogens yield a single signal.
In chiral compounds such as 2-butanol, replacing the methylene hydrogens at C3 produces a pair of...
In chiral compounds such as 2-butanol, replacing the methylene hydrogens at C3 produces a pair of...
1.8K
Reduction of Alkenes: Catalytic Hydrogenation
12.2K
Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
12.2K
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


