DETERMINATION OF BOND-ENERGY TERMS IN PHOSPHORUS-CONTAINING COMPOUNDS

Citation
G. Leroy et al., DETERMINATION OF BOND-ENERGY TERMS IN PHOSPHORUS-CONTAINING COMPOUNDS, Journal of molecular structure. Theochem, 115(2), 1994, pp. 113-119
Citations number
14
Categorie Soggetti
Chemistry Physical
ISSN journal
01661280
Volume
115
Issue
2
Year of publication
1994
Pages
113 - 119
Database
ISI
SICI code
0166-1280(1994)115:2<113:DOBTIP>2.0.ZU;2-N
Abstract
The enthalpies of formation of a series of phosphorus containing compo unds were calculated using various ab initio quantum chemical methods adapted to the size of the species under consideration. A large variet y of bond energy terms involving the phosphorus atom were derived from the corresponding enthalpies of atomization. Some interesting applica tions of these bond energy terms, namely the determination of stabiliz ation energies, pi-bond energies and Pauling's electronegativities, ar e also described.