Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal-organic framework

Two heteroleptic Co(ii) 2,5-diiodoisoterephthalates (2,5-I-bdc) (1 and 2) with a 1,2-bis(4-pyridyl)ethane (bpe) linker, both having the general formula {[Co(2,5-I-bdc)bpe]·XDMF}n, were prepared. In the structure of 2, guest DMF molecules form a prominent halogen bond with iodine atoms of the dicarboxylate ligand. The energies of these interactions were estimated from bond critical point characteristics (QTAIM analysis). © 2025 Elsevier B.V., All rights reserved.