Complexes between formaldehyde and titanium tetrachloride. An ab initio study

Abstract

The complexes of titanium tetrachloride with one or two molecules of formaldehyde have been studied with ab initio SCF-MO methods. Several structures of the H 2 CO-TiCl 4 , (H 2 CO) 2 -TiCl 4 , and (H 2 CO-TiCl 4 ) 2 complexes have been considered and the rearrangements between them have been discussed. The interaction between formaldehyde and TiCl 4 has been analyzed in terms of molecular orbital interactions, and the effects produced by complex formation have been rationalized