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Structure, properties, and photodissociation of O[sub 4][sup -].

Authors :
Aquino, Adelia J. A.
Taylor, Peter R.
Walch, Stephen P.
Source :
Journal of Chemical Physics; 2/15/2001, Vol. 114 Issue 7, 2 Diagrams, 15 Charts, 1 Graph
Publication Year :
2001

Abstract

We present the results of an ab initio quantum-chemical investigation of the structure of the anion O[sub 4][sup -] and potential energy surfaces for several electronic states. In addition to ground-state vibrational frequencies, which are in good agreement with other calculations and with matrix isolation experiments, we have investigated both photodissociation of O[sub 4][sup -] into various states of O[sub 2] and O[sub 2][sup -] and dissociative photodetachment leading to a free electron and various states of two O[sub 2] molecules. Our surfaces lead to predictions for both photodissociation and photodetachment processes that are in excellent agreement with experiment. © 2001 American Institute of Physics. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
114
Issue :
7
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4714559
Full Text :
https://doi.org/10.1063/1.1288379