相关实验视频
Updated: Jun 16, 2025

16:20
Hyperpolarized Xenon for NMR and MRI Applications
Published on: September 6, 2012
19.5K
概括
动态核心电子极化显著影响CO分子中的分子电离和Rydberg状态激发. 包括这种效应在内的模拟结果与激光诱导电子动态的实验观测结果一致.
科学领域:
- 量子化学 是一个量子化学.
- 分子物理学 分子物理学
- 激光-物质相互作用
背景情况:
- 分子电离和里德伯格状态激发是强激光场中的基本过程.
- 了解电子动态需要考虑核心电子极化效应.
- 之前的实验观察到CO电离的方向偏好.
研究的目的:
- 为了研究动态核心电子极化对CO分子电离和Rydberg状态激发的影响.
- 将数值模拟结果与实验结果进行比较.
- 阐明两极化影响的电子行为背后的机制.
主要方法:
- 三维时间依赖的施罗丁格方程 (TDSE) 的数值解.
- 电子动态的半古典模拟.
- 对各种激光脉冲参数的分子反应的分析.
主要成果:
- 核心电子极化将电离和Rydberg状态激发指向C-to-O核方向.
- 包括极化效应导致电子在道化后占据较低的兴奋状态.
- 当考虑极化时,激发产量相对于电离概率增加.
结论:
- 动态核心电子极化对于准确建模分子电离和激发至关重要.
- 极化效应改变了电子路径,有利于特定的激发状态并增加了激发产量.
- 观察到的现象归因于极化诱导的变化,道出口靠近分子核心.
相关概念视频
Potential Due to a Polarized Object
372
A neutral atom consists of a positively charged nucleus surrounded by a negatively charged electron cloud. When placed in an external electric field, the external electric force pulls the electrons and nucleus apart, opposite to the intrinsic attraction between the nucleus and the electrons. The opposing forces balance each other with a slight shift between the center of masses of the nucleus and the electron cloud, resulting in a polarized atom. On the other hand, a few molecules, like water,...
372
Raman Spectroscopy: Overview
335
The underlying principle of Raman spectroscopy is based on the interaction between light and matter, specifically molecules' inelastic scattering of photons. When a monochromatic beam of light, typically from a laser source, interacts with a sample, most scattered light has the same frequency as the incident light. This is known as Rayleigh scattering.
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and...
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and...
335
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
Atomic Nuclei: Nuclear Relaxation Processes
632
In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis, the precessing magnetic moments are randomly oriented around the z-axis.
632
Atomic Nuclei: Magnetic Resonance
639
The number of nuclear spins aligned in the lower energy state is slightly greater than those in the higher energy state. In the presence of an external magnetic field, as the spins precess at the Larmor frequency, the excess population results in a net magnetization oriented along the z axis. When a pulse or a short burst of radio waves at the Larmor frequency is applied along the x axis, the coupling of frequencies causes resonance and flips the nuclear spins of the excess population from the...
639
Induced Electric Dipoles
4.2K
A permanent electric dipole orients itself along an external electric field. This rotation can be quantified by defining the potential energy because the external torque does work in rotating it. Then, the potential energy is minimum at the parallel configuration and maximum at the antiparallel configuration. While the former is a stable equilibrium, the latter is an unstable equilibrium.
Since the absolute value of potential energy holds no physical meaning, its zero value can be chosen as per...
Since the absolute value of potential energy holds no physical meaning, its zero value can be chosen as per...
4.2K

