MOLECULAR-ORBITAL STUDY OF THE REARRANGEMENT OF SELENIRANIUM IONS

Authors
MARKOVIC Z KONSTANTINOVIC S JURANIC I DOSENMICOVIC L
Citation
Z. Markovic et al., MOLECULAR-ORBITAL STUDY OF THE REARRANGEMENT OF SELENIRANIUM IONS, Gazzetta chimica italiana, 127(8), 1997, pp. 429-434
Citations number
35
Categorie Soggetti
Chemistry
Journal title
Gazzetta chimica italiana → ACNP
ISSN journal
00165603
Volume
127
Issue
8
Year of publication
1997
Pages
429 - 434
Database
ISI
SICI code
0016-5603(1997)127:8<429:MSOTRO>2.0.ZU;2-U
Abstract
The mechanism of phenylselenoetherification of unsaturated alcohols, i nvolving seleniranium cationic intermediates, is studied by the semiem pirical molecular-orbital MNDO-PM3 method. Results of calculation on s everal Delta(4)-alkenols attacked by PhSe+ reveal that the reaction sh ould be highly regio- and stercospecific.