Three silver iodides with zero and one-dimensional hybrid structures directed by conjugated organic templates: synthesis and theoretical study

Under the direction of large conjugated organic cationic SDAs (structure-directing agents), three silver(I) iodides, (ipq)(4)(Ag2I6 center dot 2I(2)) (1), {[pql][Ag2I3]}(n) (2), [(npql)(2)(Ag4I6)](n) (3) (ipq(+) = N-(isopentyl)-quinolinium, pql(+) = N-propyl-quinolinium, npql(+) = N-(n-pentyl)-quinolinium) have been synthesized. 1 presents a zero-dimensional structure constituting of ipq(+) cations, [Ag2I6](4-) anions and molecular iodine. But 2 and 3 consist of one-dimensional coordination polymers that could be described as edge-sharing AgI4 tetrahedra. Electrostatic interactions between organic counter cations and inorganic moieties are present and contribute to the crystal packing. The structural differences between 1, 2 and 3 illustrate the influences of substituents of SDAs on the linkage modes of AgI4 tetrahedra. DFT calculations were carried out to reveal their electronic structures.