Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases

Reactions of chlorotellurates(iv) and Br2 afford formation of one-dimensional supramolecular complexes of general formula Cat2{[TeCl6](Br2)} (Cat = Me3N+ (1), PyH+ (2), 4-MePyH+ (3) and 1-MePy+ (4)) where dibromine fragments are “trapped” by [TeCl6]3−via specific Br⋯Cl interactions (halogen bonding). The energies of the latter were estimated by DFT calculations (up to 5.7 kcal mol−1).