Department of Chemical and Biological Engineering2024-11-1020130095-897210.1080/00958972.2013.8602232-s2.0-84890486953http://dx.doi.org/10.1080/00958972.2013.860223https://hdl.handle.net/20.500.14288/17428Three new coordination polymers, [Cu((3)-tdp)(im)(2)](n) (1), {[Cu((3)-tdp)(1-mim)(2)]<bold>0</bold>.5H(2)O}(n) (2) and {[Cu-2((3)-tdp)(2)(4-mim)(4)]<bold></bold>H2O}(n) (3) [tdpH(2)=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 P2(1)/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 <bold></bold> interactions. The 3,3-thiodipropionate exhibits an unexpected coordination mode in 1-3. Simulations were used to assess the potential of the complexes in H-2 storage applications.Chemistry, inorganicNuclearJournal Article1029-0389328193200003Q312960