Solvothermal self-assembly of a novel metal-organic square grid complex using a biscarbohydrazone ligand building block: Crystal structures, Hirshfeld and void surface analyses, band gap calculations and DFT studies

An all-rounder aminoguanidine based ligand, its unusual anionic zinc(ii) and cadmium(ii) coordination complexes and their biological implications

“…3 Similarly, the strong bands observed at 3362 and 3275 (calculated 3647 and 3595) cm À1 due to the n(O-H) stretching frequency of the free ligand are changed to weak and broad bands at 3470 and 3468 (calculated 3716 and 3715) cm À1 for the Zn(II) and Cd(II) complexes. The coordination of metal ions with the ligand atoms was further confirmed by the appearance of bands in the region 568 and 485 (calculated 651 and 634) cm À1 attributed to n(M-O), 31,32 446 and 420 (calculated 548 and 544) cm À1 due to n(M-N) 33,34 as well as 280 and 245 (calculated 364 and 363) cm À1 ascribed to n(M-Cl) 35,36 for the complexes 1 and 2, respectively (Fig. S5 and S6, ESI †).…”