LAUSR

Abstract The hydrothermal reactions of some metal ions with 2,2′-dimethylglutaric acid (22dmgH 2 ) and 1,2-bis(imidazol-1-ylmethyl)benzene (obix) newly afford four coordination polymers are called, {[Co 2 (µ-22dmg) 2 (µ-obix) 2 ]∙1.5H 2 O} n (1) , {[Cu(µ-22dmg)(µ-obix)]∙H 2 O} n (2) , {[Zn 2 (µ-22dmg) 2 (µ-obix) 2 ]∙2H 2 O} n (3) and [Cd 2 (µ-22dmg) 2 (µ-obix) 2 (H 2 O)] n (4) . All of the complexes were characterized by elemental analysis, IR spectra, single crystal X- ray diffraction, powder X-ray diffraction (PXRD), and thermal analysis techniques. Furthermore, photoluminescence and topological properties were studied. The X-ray single crystal study shows that complexes 1 , 3 and 4 display 3-fold parallel interpenetrating networks with hcb topology showing an unusual 2D + 2D + 2D → 2D structures. Topological analysis reveals that complex 2 has an uninodal 4-c net sql topology with the point symbol of 4 4 .6 2 . Atomically-detailed simulations were finally performed to compute hydrogen (H 2 ) uptake in these complexes at 77 K.