Synthesis of a new two-dimensional Cd(II) coordination compound by benzotriazole-5-carboxylate acid and 1,10-phenanthroline and its crystal structure and characterization

Abstract

A mixed-ligand metal-organic complex [Cd(C₇H₃N₃O₂)(C₁₂H₈N₂)] _n was synthesized by cadmium(II) nitrate, 1,10-phenanthroline(phen) and benzotriazole-5-carboxylate acid(H₂btca). Single crystal X-ray analysis indicates that complex 1 has a two-dimensional layer structure and crystallizes in an orthorhombic space group(Pbca), with cell parameters, a=1.7422(6) nm, b=0.9264(3) nm, c=2.0729(7) nm, α=90°, β=90°, γ=90°, V=3.346(2) nm³, Z=8. Each central Cd(II) is six-coordinated by four N atoms, two of which are from 1,10-phenanthroline, and the other two from two different triazole nitrogen atoms and two O atoms from benzotriazole-5-carboxylate, forming a distorted octahedral geometry. Adjacent Cd(II) centers are bridged by benzotriazole-5-carboxylate molecules to form a one-dimensional chain, which is further connected by the nitrogen atoms of btca²⁻ to form an extended two-dimensional wave-like layer, with OFF(offset face-to-face) stacking interactions between phen ligands in adjacent layers, which are helpful to forming the three-dimensional supramolecular structure.

Keywords

Benzotriazole-5-carboxylate acid / Cd(II) complex / Crystal structure / Fluorescence

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