Huang, Xiaoping published the artcileSynthesis, characterization and SOD activity of bisbenzimidazole-based copper(II) complexes, Name: 2,2′-Oxydiacetic acid, the main research area is copper benzimidazole complex preparation crystal structure DFT; cyclic voltammetry SOD mimic activity copper benzimidazole complex.
Three bisbenzimidazole-copper(II) coordination complexes, [Cu(MIDB)(NO3)(CH3OH)](NO3) (1), [Cu(MIDB)(H2O)2](NO3)2 (2), and [Cu(ODB)2](ClO4)2 (3) (MIDB =N-Me bis(benzimidazol-2-ylmethyl) amine; ODB = bis(2-benzimidazolylmethyl) ether), were synthesized and characterized. The component ions in their crystals are linked by N-H…O, O-H… O, C-H…π and π…π interactions into three-dimensional networks which are quant. manifested by the Hirshfeld surface anal. Their frontier MO compositions and natural charge population were conducted theor. at the DFT/(UB3LYP)/6-31G+(d, p) level for the copper coordination units, indicating that the HOMO and LUMO orbitals are mainly contributed by the benzimidazole groups and the coordination bonds are stabilized by the delocalized stabilization energy between the lone-pair bonding orbitals from N and/or O atoms and the lone-pair anti bond orbitals of the copper center. The cyclic voltammetry showed irreversible one-electron redox reactions for the three complexes in DMF solutions SOD activity of 1 (IC50=1.34μM) was slightly better than that of 3 (IC50=1.36μM) by using the NBT method.
Journal of Molecular Structure published new progress about Crystal structure. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, Name: 2,2′-Oxydiacetic acid.
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