Tetrahydrofuran (thf) solvates of tin (IV) halides: Crystal structures of trans-SnX4(thf)(2) where X = Cl, Br. Molecular modelling of the cis/trans isomers of SnX4(thf)(2)

From studies of the SnX4-thf reaction system (thf tetrahydrofuran; X = F, CI, Br, I) we have established adduct formation, SnX4(thf)(2) for X = CI (I) and Br (Il) but recovery of unchanged starting materials for X = F and I. X-ray crystallography confirms a six coordinate structure with regular octahedral metal geometry for both (I) and (II) with the two solvent (thf) molecules in a mutually trans-arrangement in each case. Modelling studies of the cis/trans-isomers of SnX4(thf)(2) where X = CI, Br and of SnCl4(H2O)(2) have been carried out and comparisons drawn with the observed structural chemistry of these systems