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通过阈值光电子能谱和组态相互作用计算研究N2+的内价态及解离动力学。

Inner-valence states of N2+ and the dissociation dynamics studied by threshold photoelectron spectroscopy and configuration interaction calculation.

作者信息

Aoto Tomohiro, Ito Kenji, Hikosaka Yasumasa, Shibasaki Akihiro, Hirayama Ryo, Yamamono Norifumi, Miyoshi Eisaku

机构信息

Photon Factory, Institute of Materials Structure Science, Tsukuba, Ibaraki 305-0801, Japan.

出版信息

J Chem Phys. 2006 Jun 21;124(23):234306. doi: 10.1063/1.2206586.

Abstract

The N2(+) states lying in the ionization region of 26-45 eV and the dissociation dynamics are investigated by high-resolution threshold photoelectron spectroscopy and threshold photoelectron-photoion coincidence spectroscopy. The threshold photoelectron spectrum exhibits several broad bands as well as sharp peaks. The band features are assigned to the N2(+) states associated with the removal of an inner-valence electron, by a comparison with a configuration interaction calculation. In contrast, most of the sharp peaks on the threshold photoelectron spectrum are allocated to ionic Rydberg states converging to N2(2+). Dissociation products formed from the inner-valence N2(+) states are determined by threshold photoelectron-photoion coincidence spectroscopy. The dissociation dynamics of the inner-valence ionic states is discussed with reference to the potential energy curves calculated.

摘要

利用高分辨率阈值光电子能谱和阈值光电子-光离子符合光谱,研究了处于26 - 45 eV电离区域的N2(+)态及其解离动力学。阈值光电子能谱呈现出几个宽峰以及尖锐的峰。通过与组态相互作用计算结果相比较,将宽峰特征归因于与移除一个内层价电子相关的N2(+)态。相比之下,阈值光电子能谱上的大多数尖锐峰被归为收敛到N2(2+)的离子里德堡态。由内层价N2(+)态形成的解离产物通过阈值光电子-光离子符合光谱来确定。结合计算得到的势能曲线,讨论了内层价离子态的解离动力学。

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