Exploring solid-state supramolecular architectures of pyrimidine-based Ag-1D coordination polymers: Experimental observations and theoretical insights

What is it about?

• Two novel silver(I) complexes with pyrimidine ligands were synthesized and their single crystals were obtained using the slow evaporation method. • Hydrogen bonding and CH⋯π interactions contribute to 2D supramolecular polymer formation with cavity structures. • Influence of methyl/methoxy functional groups on the crystalline conformations through dihedral angle variations. • DFT calculations reveal the thermodynamic stability and redox-active potential of the coordination polymers as electron acceptors.

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