BCl₃分子核心激发态中多态电子振动耦合诱导的动态俄歇发射。

Dynamical Auger emission induced by multistate vibronic coupling in the core-excited states of the BCl3 molecule.

作者信息

Ueda K, Tanaka S, Shimizu Y, Muramatsu Y, Chiba H, Hayaishi T, Kitajima M, Tanaka H

机构信息

Research Institute for Scientific Measurements, Tohoku University, Sendai 980-8577, Japan.

出版信息

Phys Rev Lett. 2000 Oct 9;85(15):3129-32. doi: 10.1103/PhysRevLett.85.3129.

DOI:10.1103/PhysRevLett.85.3129

PMID:11019283

Abstract

The Auger emission following the resonant excitation of the BCl3 molecule has been investigated using monochromatized synchrotron radiation. The B 1s excitation to the unoccupied Anti-bonding 4e(') orbital enhances the shoulder structure in the low kinetic energy side of the photoemission from the 2e(') valence bonding orbital. Based on a series of quantum mechanical calculations, this shoulder structure is interpreted as the dynamical Auger emission which reflects the B-Cl stretching nuclear motion and appears as a result of the purely multistate vibronic coupling effect among the Jahn-Teller split B 1s(-1)4e(') E' states and the closely lying B 1s(-1)3a(')(1) A'1 state.

摘要

利用单色同步辐射研究了BCl₃分子共振激发后的俄歇发射。从B 1s激发到未占据的反键4e(')轨道，增强了来自2e(')价键轨道的光发射在低动能侧的肩部结构。基于一系列量子力学计算，这种肩部结构被解释为动态俄歇发射，它反映了B-Cl键的拉伸核运动，并且是Jahn-Teller分裂的B 1s⁻¹4e(') E'态与紧密相邻的B 1s⁻¹3a(')¹ A'₁态之间纯粹的多态振动电子耦合效应的结果。