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Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties

A. Husain ; M. Ellwart ; S. A. Bourne ; Lars Öhrström (Institutionen för kemi- och bioteknik, Fysikalisk kemi) ; C. L. Oliver
Crystal Growth & Design (1528-7483). Vol. 13 (2013), 4, p. 1526-1534.
[Artikel, refereegranskad vetenskaplig]

A novel 2-fold interpenetrated pillared cadmium metal organic framework namely [Cd(HBTC)-BPE](n)center dot nDMF has been synthesized using 1,3,5-benzenetricarboxylic acid and 1,2-bis(4-pyridyl)ethane (BPE). This compound has been desolvated and subjected to various liquids and gases for sorption studies. Structures of the assynthesized (1) desolvated (2) and resolvated in benzene (3) have been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis IR spectra, and thermogravimetric/differential scanning calorimetry analysis. Single crystal X-ray analysis revealed a 2-fold interpenetrated, three-dimensional (3D) framework which exhibits a 3,5-connected network with the Schlafli symbol of [(6(3))(6(9).8) and hms topology. Compound I exhibits a temperature-induced single-crystal-to-single-crystal (SC SC) transformation upon the release of N,N'-dimethylformamide molecules forming compound 2 (stable up to 300 C). SC SC transformation is also observed when it is immersed in benzene, chloroform, 1,4dioxane, and tetrahydrofuran. The uptake of different solvent molecules was analyzed, and desolvated samples selectively adsorb benzene, chloroform, 1,4-dioxane, and THF molecules over other selected polar solvents. Gas (N-2, CO2, and N2O) sorption experiments were also performed and the structure showed 2.5% N-2 4.5% CO2, and 3.4% N2O absorption by mass at room temperature and moderate gas pressures (similar to 10 bar).

Nyckelord: coordination polymers, 1,3,5-benzenetricarboxylic acid, computer-program, building units, hydrogen-bonds, luminescence, storage, network, ligand, functionalization

Denna post skapades 2013-05-30. Senast ändrad 2014-11-10.
CPL Pubid: 177691


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Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Fysikalisk kemi (2005-2014)



Chalmers infrastruktur