Chlorotellurate(IV) supramolecular associates with trapped Br2: features of non-covalent halogenhalogen interactions in crystalline phases

Reactions of chlorotellurates(IV) and Br-2 afford formation of one-dimensional supramolecular complexes of general formula Cat(2){[TeCl6](Br-2)} (Cat = Me3N+ (1), PyH+ (2), 4-MePyH+ (3) and 1-MePy+ (4)) where dibromine fragments are trapped by [TeCl6](3-)via specific BrCl interactions (halogen bonding). The energies of the latter were estimated by DFT calculations (up to 5.7 kcal mol(-1)).