Visualize the vibronic coupling in Auger final states in N2 molecule

Jianye Huang; Bocheng Ding; Yunfei Feng; Ruichang Wu; Lifang Tian; Xiao-Jing Liu

doi:10.1063/5.0138161

Visualize the vibronic coupling in Auger final states in N2 molecule

J Chem Phys. 2023 Apr 21;158(15):154303. doi: 10.1063/5.0138161.

Authors

Jianye Huang^{1

2}, Bocheng Ding^{1

2}, Yunfei Feng^{1

2}, Ruichang Wu^{1

2}, Lifang Tian^{1

2}, Xiao-Jing Liu^{1

2}

Affiliations

¹ School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China.
² Center for Transformative Science, ShanghaiTech University, Shanghai 201210, China.

PMID: 37094018
DOI: 10.1063/5.0138161

Abstract

Vibronic coupling is a critical mechanism in chemical reactions. However, its quantitative evaluation is challenging due to mathematical complexity and programming difficulty, and its experimental proof is often elusive due to overlap among neighboring states. Here, after exciting a vibrational level (ν = 0, 1, 2) of the intermediate N 1s→πg* core-excited state in N2 molecules, we separate the resonant Auger decay channels that lead to the lowest dissociation limit in the two-dimensional energy correlation maps. From three kinetic energy release spectra of these channels at different vibrational quantum numbers, we give the first experimental proof of the vibronic coupling between two resonant Auger final states 12Πg and 22Πg.