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Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study†
Behrouz Notash,Ommolbanin Barzegar Tilenoie,S. Shahab Naghavi
New Journal of Chemistry Pub Date : 07/17/2023 00:00:00 , DOI:10.1039/D3NJ01175E
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.

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