THEORETICAL-STUDY OF THE O-4 MOLECULE

Authors
PAVAO AC SEABRA GM TAFT CA
Citation
Ac. Pavao et al., THEORETICAL-STUDY OF THE O-4 MOLECULE, Journal of molecular structure. Theochem, 335, 1995, pp. 59-61
Citations number
20
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
335
Year of publication
1995
Pages
59 - 61
Database
ISI
SICI code
0166-1280(1995)335:<59:TOTOM>2.0.ZU;2-D
Abstract
MCSCF molecular orbital calculations show that the D-2h structure of t he O-4 molecule is more stable than the D-4h structure. The O-4(D-2h,( 1)A(1)) --> 2O(2)((3) Sigma(g)(-)) dissociation energy is in agreement with the dissociation energy predicted by Lewis. The unsynchronized r esonating valence bond theory also predicts the formation of the O-4 m olecule with D-2h geometry.