论文标题
探索Swift Electron的分子和生物分子系统中电子过渡的空间特征
Exploring the spatial features of electronic transitions in molecular and biomolecular systems by swift electrons
论文作者
论文摘要
电子能量损失光谱是合并的,是探索物质(包括分子)的电子(以及振动)激发的强大工具。该技术是在扫描透射电子显微镜中进行的,基于薄试样中快速电子的非弹性散射。最近,已经引入了新的电子光学配置,为分析轨道角度动量的单个组件的分析开辟了道路。我们在这里提议将这项技术扩展到探测分子和超分子系统,设计了新型实验:使用最先进的量子化学方法来描述在避免分子损伤的电子束中存在电子束中分子系统的描述,我们显示散射的电子获得了不同的具有指定的分子转移潜能的具有不同的方位型成分。为增加尺寸的系统进行的数值模拟,指出该构想的新技术可以打开探测多极成分甚至分子过渡的手性的可能性,从而取代那些有问题的情况,例如,在非常高度的Spatial Spatirolution下,可以为那些有问题的案例提供了通常的光谱。
Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is based on inelastic scattering of fast electrons in a thin specimen. Very recently, new electron optics configuration have been introduced, opening the way to the analysis of the single components of orbital angular momentum of the outcoming electrons, that convey additional information on the spatial features of the investigated excitations: innovative double-dispersed spectroscopic experiments for metallic nanostructures have been therefore suggested. We propose here to extend this technology to probe molecular and supra-molecular systems, devising new kind of experiments: using state of the art quantum chemical methods to describe the molecular system in presence of an electron beam in a configuration that avoid molecular damage, we show that scattered electrons acquire the different azimuthal components of induced molecular transition potentials. Numerical simulations performed for systems of increasing size, point out that the conceived new technique can open up the possibility of probing the multipolar components and even the chirality of molecular transitions, superseding the usual optical spectroscopies for those cases that are problematic, such as dipole-forbidden transitions, at a very high spatial resolution.