A neutral zinc(II) metal-organic framework with nanoporous channels for efficient and selective absorption of anionic dyes.

• The Zn-MOF characters as a (32,4-c net) 3D skeleton. It contains one-dimensional channels. Zn-1 exhibits excellent adsorption behavior of anionic dyes CR2–, MO–, and EBT–. The adsorption results were simulated by AIMD simulations. It also displays good separation performance of a variety of anionic and cationic dyes. One porous metal−organic framework {[Zn(TIA)(DPE) 0.5 ]·3DMF} n (Zn-1) was successfully constructed under solvo-thermal reaction of Zn(NO 3) 2 ·6H 2 O with multifunctional ligand 3-(4H-1,2,4-triazol-1-yl)-isophthalic acid (H 2 TIA) and linear bridge dipyridyl ethylene (DPE). Polymer Zn-1 characters as a (32,4-c net) 3D skeleton containing uni-dimensional channels, which results in its high efficient adsorption behavior of anionic dyes CR2−, MO–, and EBT–. Especially for the large-size CR2−, it shows the most rapid removal rate. More importantly, it realized good separation effects of mixed anionic and cationic dyes (CR2−/MB+ and MO–/MB+). Such excellent performances of dye adsorption and separation are mainly caused by the uni-dimensional channels of MOF Zn-1 and supramolecular interactions between guest-host, which was supported by ab initio molecular dynamics (AIMD) simulations. Synopsis Using a bifunctional ligand 3-(1H-1,2,4-triazol-1-yl)isophthalic acid (H 2 TIA) and a linear bridge dipyridyl ethylene (DPE), one porous Zn-MOF (Zn-1) has been successfully obtained. The framework of Zn-1 characters as a (32,4-c net) 3D skeleton containing large size uni-dimensional channels. In addition, Zn-1 exhibits excellent adsorption behavior of anionic dyes CR2−, MO–, and EBT–, which was confirmed by ab initio molecular dynamics (AIMD) simulations. Further, the adsorbed anion dyes can be readily set free in saturated NaCl aqueous solution. What's more, it displays good separation performance of a variety of anionic and cationic dyes, such as CR2−/MB+ and MO–/MB+. [Display omitted] [ABSTRACT FROM AUTHOR]