MOLECULAR-ORBITAL DESCRIPTION OF SURFACE CHEMI-LUMINESCENCE

被引：131

作者：

NORSKOV, JK

NEWNS, DM

LUNDQVIST, BI

机构：

[1] Institute of Physics, University of Aarhus

来源：

SURFACE SCIENCE | 1979年 / 80卷 / 01期

关键词：

D O I：

10.1016/0039-6028(79)90677-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using molecular orbital (MO) correlation diagrams it is shown that the chemiluminescence observed during halogen chemisorption on sodium can be ascribed to the filling of the initially empty antibonding halogen MO by a radiative process. On the basis of the competition between radiative and resonance hole neutralization the chemiluminiscence spectra are calculated and shown to agree with experimental results. © 1979.

引用

页码：179 / 188

页数：10

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