HOMOLYTIC BOND-DISSOCIATION IN PEROXIDES, PEROXYACIDS, PEROXYESTERS AND RELATED RADICALS - AB-INITIO MO CALCULATIONS

Authors
BENASSI R TADDEI E
Citation
R. Benassi et E. Taddei, HOMOLYTIC BOND-DISSOCIATION IN PEROXIDES, PEROXYACIDS, PEROXYESTERS AND RELATED RADICALS - AB-INITIO MO CALCULATIONS, Tetrahedron, 50(16), 1994, pp. 4795-4810
Citations number
32
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Tetrahedron → ACNP
ISSN journal
00404020
Volume
50
Issue
16
Year of publication
1994
Pages
4795 - 4810
Database
ISI
SICI code
0040-4020(1994)50:16<4795:HBIPPP>2.0.ZU;2-Y
Abstract
Homolytic dissociation energies for different cleavage paths in a numb er of peroxides, peroxyacids and peroxyesters and in the radicals form ed from these molecules, were calculated from the total MO ab-initio m olecular energies of the chemical species involved in the bond cleavag e reactions and compared with experimental values, where known.