An experimental and theoretical study on the novel tetraphosphorus triselenide boron triiodide (P4Se3)center dot(BI3) adduct
Tetraphosphorus triselenide boron triiodide (P4Se3).(BI3) has been prepared. The product formed has been characterized by Raman and IR spectroscopy. Vibrational assignments for the normal modes of this Lewis acid-base adduct have been made on the basis of comparison between theoretically obtained and experimentally observed Raman and IR data. The geometries of several possible tetraphosphorus triselenide boron triiodide (P4Se3).(BI3) adducts have been calculated. The bonding and electron transfer from the tetraphosphorus triselenide P4Se3 unit to the Lewis acid BI3 has been investigated by applying NBO analysis.
nbo analysis boron halide complexes density functional theory raman spectroscopy