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Theoretical emission spectra of NeAl+and ArAl+in the vacuum ultraviolet region

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
146
Identifiers
DOI: 10.1016/0009-2614(88)87444-x

Abstract

Abstract Two diatomic ions, NeAl + and ArAl +, were studied via ab initio MO CI calculations. The first excited singlet state 1Π of both ions forms an excimer, and its estimated radiative lifetime is about 1 ns. The simulated emission spectra from ν′ = 0 peaks at 57900 cm −1 for NeAl + and 53800 cm −1 for ArAl +. The broad emission spectrum observed in an Ar glow discharge using an Al cathode by Yamashita is most likely the excimer band from hot ArAl +.

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