The reactivity of P(III) compounds towards fluorination by Ph3BiF2 was studied from the viewpoint of frontier molecular orbital s theory. The highest occupied molecular orbital (HOMO) energies of phosphites and amidophosphites were calculated. A qualitative relationship between HOMO energy levels and reactivity was found. The difference in chemical behaviour of (Me2N)3P and (Et2N)3P was attributed to steric hindrance. · 1997 Elsevier Science B.V.
- Chemical reactivity
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry