First molecular and electronic structure determination of the dicationic salt of 1,11-(methanoselenomethano)-5H,7H-dibenzo[b,g] [1.5]diselenocin by X-ray crystallographic analysis and ab initio calculation

Abstract

The X-ray crystallographic analysis of the dication salt of 1,11-(methanoselenomethano)-5H,7H-dibenzo[b,g] [1,5]- diselenocin shows that the dication has a selenium atom in a trigonal-bipyramidal bonding environment; an ab initio calculation carried out for the dication revealed that the positive charge is exclusively carried by the three selenium atoms.