氯 K 边甲基氯的共振非弹性 X 射线散射。

Resonant inelastic x-ray scattering of methyl chloride at the chlorine K edge.

机构信息

UPMC Univ Paris 06, UMR7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-7005 Paris, France.

出版信息

J Chem Phys. 2012 Jan 14;136(2):024319. doi: 10.1063/1.3675685.

Abstract

We present a combined experimental and theoretical study of isolated CH(3)Cl molecules using resonant inelastic x-ray scattering (RIXS). The high-resolution spectra allow extraction of information about nuclear dynamics in the core-excited molecule. Polarization-resolved RIXS spectra exhibit linear dichroism in the spin-orbit intensities, a result interpreted as due to chemical environment and singlet-triplet exchange in the molecular core levels. From analysis of the polarization-resolved data, Cl 2p(x, y) and 2p(z) electronic populations can be determined.

摘要

我们使用共振非弹性 X 射线散射（RIXS）对孤立的 CH(3)Cl 分子进行了组合实验和理论研究。高分辨率光谱允许提取关于核心激发分子中核动力学的信息。偏振分辨 RIXS 光谱在自旋轨道强度中表现出线性二色性，这一结果被解释为由于分子核心能级中的化学环境和单重态-三重态交换所致。通过对偏振分辨数据的分析，可以确定 Cl 2p(x,y) 和 2p(z) 电子布居。