An experimental and theoretical study on the novel tetraphosphorus triselenide boron triiodide (P4Se3)center dot(BI3) adduct

Citation
C. Aubauer et al., An experimental and theoretical study on the novel tetraphosphorus triselenide boron triiodide (P4Se3)center dot(BI3) adduct, J MOL MODEL, 6(2), 2000, pp. 76-85
Citations number
42
Categorie Soggetti
Chemistry & Analysis",Chemistry
Journal title
JOURNAL OF MOLECULAR MODELING
ISSN journal
16102940 → ACNP
Volume
6
Issue
2
Year of publication
2000
Pages
76 - 85
Database
ISI
SICI code
1610-2940(2000)6:2<76:AEATSO>2.0.ZU;2-D
Abstract
Tetraphosphorus triselenide boron triiodide (P4Se3).(BI3) has been prepared . The product formed has been characterized by Raman and IR spectroscopy. V ibrational assignments for the normal modes of this Lewis acid-base adduct have been made on the basis of comparison between theoretically obtained an d experimentally observed Raman and IR data. The geometries of several poss ible tetraphosphorus triselenide boron triiodide (P4Se3).(BI3) adducts have been calculated. The bonding and electron transfer from the tetraphosphoru s triselenide P4Se3 unit to the Lewis acid BI3 has been investigated by app lying NBO analysis.