TY - DATA T1 - A porous zinc(II) metal–organic framework exhibiting high sensing ability for ferric and nitroaromatics as well as photocatalytic degradation activities against organic dyes PY - 2017/12/07 AU - Jianqiang Liu AU - Jian Wu AU - Zhidong Luo AU - Baohong Li AU - Amita Singh AU - Kumar Abhinav UR - https://tandf.figshare.com/articles/journal_contribution/A_porous_zinc_II_metal_organic_framework_exhibiting_high_sensing_ability_for_ferric_and_nitroaromatics_as_well_as_photocatalytic_degradation_activities_against_organic_dyes/5677864 DO - 10.6084/m9.figshare.5677864 L4 - https://ndownloader.figshare.com/files/9928870 KW - MOF KW - sensing KW - nitroaromatics KW - DFT KW - photocatalysis N2 - A NbO-type Zn(II) metal–organic framework of {[Zn2(HL)(H2O)2]∙H2O}n (1) has been developed using a pentacarboxylate 2,5-bis(3′,5′-dicarboxylphenyl)-benzoic acid (H5L) ligand and characterized. The single-crystal X-ray diffraction studies indicate that 1 comprises free –COOH groups and Zn(II) centers bridged by four carboxylate groups to form a paddle wheel SBU which is further connected by L5− ligands to build a 3-D porous network with two types of cages. The chemically stable MOF 1 behaves as a highly selective and sensitive fluorescent chemosensor for the detection of Fe3+ ions, 2,4,6-trinitrophenol (TNP), which is known to be an extremely hazardous and strong explosive. Furthermore, the photocatalytic properties of 1 for degradation of methyl violet (MV) and Rhodamine B (RhB) have been explored. The possible emission quenching mechanism in the presence of nitro-aromatics (NACs) has been addressed by theoretical calculations and photocatalytic activity of 1 against organic dyes has been supported using density of states (DOS) calculations. ER -