A multifunctional metal-organic framework with a μ3-OH- site for gas and vapor sorption and selective detection of nitrofurantoin

A porous 3D multifunctional Zn-MOF (1), namely {[Zn-2.5(DDPP)(OH)(H2O)]center dot H2O center dot 1.5DMF}(n) (H4DDPP = 3,5-di(2',5'-dicarboxylphenyl)pyridine, DMF = N,N-dimethylformamide), was solvothermay synthesized by the reaction of a H4DDPP ligand and zinc salts. 1 exhibits a high adsorption performance for N-2(246.2 cm(3) g(-1) at 77 K) and CO2 (116.1 cm(3) g(-1) at 273 K) as well as excellent selective separation for CO2/CH4 (V:V = 0.5:05) and CO2/CH4 (V:V = 0.05:0.95) with selectivity coefficients of 79.3 and 25.4 at 298 K and 1 bar, respectively. Meanwhile, 1 shows a great performance for H2O vapor sorption and the uptake amount of H2O vapor is 281.9 cm(3) g(-1) (at 298 K and P/P-0 = 0.99), which is comparable to that reported in the literature. Furthermore, 1 has an excellent separation ability for H2O vapor in H2O/CH3OH mixed vapor and the selectivity of 1 for H2O/CH3OH (V:V = 0.1:0.9) and H2O/CH3OH (V:V = 0.05:0.95) is 254.6 and 94.9 at 298 K and 1 bar, respectively. More importantly, the Grand Canonical Monte Carlo (GCMC) simulation shows that the reason for the good adsorption capacity of 1 for CO2 and H2O vapor is attributed to the pore structure of 1 and the interaction between the coordinated H2O molecules and mu(3)-OH- in 1 and CO2 or H2O molecule. In addition, 1 shows sensitive sensing ability for nitrofurantoin (NFT) and the detection Limit (DL) was 5.3 x 10(-8) M. Moreover, the fluorescence sensing mechanism of 1 for NFT can mainly be attributed to the competitive absorption between the absorption spectrum of NFT and the emission spectrum of 1, the weak interactions between mu(3)-OH- in 1 and NFT and photoinduced electron transfer from 1 to NFT.

Automated summary

The newly synthesized 3D multifunctional Zn-MOF material shows excellent performance in the adsorption and separation of CO2, H2O, and methanol gases, as well as sensitive detection ability for nitrofurantoin, attributed to its unique pore structure and interactions between molecules.