Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study

Abstract

Using 4-aminobenzonitrile (4-ABN) as a ligand and different anions, five cadmium coordination polymers of the formulae [Cd(4-ABN)I₂]_n (1), [Cd(4-ABN)Br₂]_n (2), [Cd(4-ABN)₂(NO₃)₂]_n (3), [Cd(4-ABN)₂(OAc)₂]_n (4) and {[Cd(4-ABN)₂(H₂O)₂](ClO₄)₂}_n (5) are synthesized and structurally characterized. By changing the anion used, different structural motifs were formed. Compounds 1, 4 and 5 are 1D coordination polymers, while compounds 2 and 3 represent 3D and 2D coordination polymers, respectively. Also, Hirshfeld surface analysis and density functional theory (DFT) calculation on crystalline systems have been performed.