THE ROLE OF ELECTRONIC AND STERIC FACTORS IN THE FLUORINATION OF P(III) COMPOUNDS BY PH3BIF2

Authors
RAKOV IM ANISIMOV VM LERMONTOV SA
Citation
Im. Rakov et al., THE ROLE OF ELECTRONIC AND STERIC FACTORS IN THE FLUORINATION OF P(III) COMPOUNDS BY PH3BIF2, Journal of molecular structure. Theochem, 419, 1997, pp. 201-204
Citations number
4
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
419
Year of publication
1997
Pages
201 - 204
Database
ISI
SICI code
0166-1280(1997)419:<201:TROEAS>2.0.ZU;2-6
Abstract
The reactivity of P(III) compounds towards fluorination by Ph3BiF2 was studied from the viewpoint of frontier molecular orbitals theory. The highest occupied molecular orbital (HOMO) energies of phosphites and amidophosphites were calculated, A qualitative relationship between HO MO energy levels and reactivity was found. The difference in chemical behaviour of(Me2N)(3)P and (Et2N)(3)P was attributed to steric hindran ce. (C) 1997 Elsevier Science B.V.