Structure, properties, and photodissociation of O-4(-)

Citation
Aja. Aquino et al., Structure, properties, and photodissociation of O-4(-), J CHEM PHYS, 114(7), 2001, pp. 3010-3017
Citations number
15
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
7
Year of publication
2001
Pages
3010 - 3017
Database
ISI
SICI code
0021-9606(20010215)114:7<3010:SPAPOO>2.0.ZU;2-R
Abstract
We present the results of an ab initio quantum-chemical investigation of th e structure of the anion O-4(-) and potential energy surfaces for several e lectronic states. In addition to ground-state vibrational frequencies, whic h are in good agreement with other calculations and with matrix isolation e xperiments, we have investigated both photodissociation of O-4(-) into vari ous states of O-2 and O-2(-) and dissociative photodetachment leading to a free electron and various states of two O-2 molecules. Our surfaces lead to predictions for both photodissociation and photodetachment processes that are in excellent agreement with experiment. (C) 2001 American Institute of Physics.