Construction and second‐order nonlinear optical properties of two 1D zigzag chains with crisscross and parallel arrangements.

Two noncentrosymmetric d10 metal centered coordination polymers with formula [Zn(PTA)Cl2] ⋅ H2O (1) and [Hg3(PTA)3Cl6] (2) have been successfully prepared by the reaction of rigid non‐centrosymmetric ligand 3,5‐dimethyl‐N‐(pyridin‐4‐ylmethylene)‐4H‐1,2,4‐triazole‐4‐amine (PTA) and corresponding metal salts ZnCl2 and HgCl2. Both 1 and 2 feature acentric 1D zigzag chain arrangements, in which each chain is composed of linear 2‐connected PTA ligands and V‐shaped 2‐connected metal nodes Zn(II) or Hg(II). Complex 1 possesses C2 symmetric eqitlateral 1D zigzag chain structure and corresponding crisscross array. In contrast with 1, 2 displays dissymmetric ineqitlateral 1D zigzag chain structure and common parallel arrangement. Being their acentric essence as well as colorless and transparent merits, the preliminary powder NLO properties of 1 and 2 were invesigated in solid‐state. The results indicated that the SHG intensities of 1 and 2 are about 1 and o.5 times that of commercial KDP. [ABSTRACT FROM AUTHOR]