The synthesis, characterization, and theoretical hydrogen gas adsorption properties of copper(II)-3,3′-thiodipropionate complexes with imidazole derivatives

Abstract

Three new coordination polymers, [Cu(μ₃-tdp)(im)₂]_n (1), {[Cu(μ₃-tdp)(1-mim)₂]·0.5H₂O}_n (2) and {[Cu₂(μ₃-tdp)₂(4-mim)₄]·H₂O}_n (3) [tdpH₂ = 3,3′-thiodipropionic acid, im = imidazole, 1-mim = 1-methylimidazole and 4-mim = 4-methylimidazole], have been prepared and characterized by spectroscopic techniques (IR and UV–Vis), elemental analyzes, magnetic measurements, thermal analyzes, and single-crystal X-ray diffraction. Complexes 1–3 crystallize in the monoclinic system with space groups of C2/c and P2₁/c, respectively. In 1–3, tdp is a bridging ligand to form 1-D chains, which are extended into a 2-D layer by hydrogen bonding and π···π interactions. The 3,3′-thiodipropionate exhibits an unexpected coordination mode in 1–3. Simulations were used to assess the potential of the complexes in H₂ storage applications.

Keywords:

• 33′-Thiodipropionic acid
• 33′-Thiodipropionate complexes
• Imidazole complexes
• Copper(II) complexes

Acknowledgement

This work was supported by the Scientific Research Fund of Eskişehir Osmangazi University [Project number 201219A101].