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

Authors
Aubauer, C Klapotke, TM Schulz, A
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.