Bromo- and Polybromoantimonates(V): Structural and Theoretical Studies of Hybrid Halogen-Rich Halometalate Frameworks.

Cation-dependent reactions "[SbBr6 ]3- +Br2 +HBr+CationBrx " result in the formation of bromide/polybromide complexes with zero-, one-, two-, or three-dimensional supramolecular frameworks and different Br/Sb ratios (up to 11). Seven new compounds representing six structural types were characterized by XRD and thermogravimetric analysis and DFT calculations enabled estimation of the energies of the Br⋅⋅⋅Br contacts (1.1-4.6 kcal mol-1 ).