A copper(I) coordination polymer incorporation the corrosion inhibitor 1H-benzotriazole: poly[μ3-benzotriazolato-κ3N1:N2:N3-copper(I)]

Abstract

The title complex, [Cu(C6H4N3)]n, was synthesized by the reaction of cupric nitrate, 1H-benzotriazole (BTAH) and aqueous ammonia under hydrothermal conditions. The asymmetric unit contains three crystallographically independent CuIcations and two 1H-benzotriazolate ligands. Two of the CuIcations, one with a linear two-coordinated geometry and one with a four-coordinated tetrahedral geometry, are located on sites with crystallographically imposed twofold symmetry. The third CuIcation, with a planar three-coordinated geometry, is on a general position. Two CuIcations are doubly bridged by two BTA−ligands to afford a noncentrosymmetric planar [Cu2(BTA)2] subunit, and two [Cu2(BTA)2] subunits are arranged in an antiparallel manner to form a centrosymmetric [Cu2(BTA)2]2secondary building unit (SBU). The SBUs are connected in a crosswise mannerviathe sharing of four-coordinated CuIcations, Cu—N bonding and bridging by two-coordinate CuIcations, resulting in a one-dimensional chain along thecaxis. These one-dimensional chains are further linked by C—H...π and weak van der Waals interactions to form a three-dimensional supramolecular architecture.