Solid-State Gas Adsorption Studies with Discrete Palladium(II) [Pd2 (L)4 ]4+ Cages.

摘要: The need for effective CO2 capture systems remains high, and due to their tunability, metallosupramolecular architectures are an attractive option gas sorption. While the use of extended metal organic frameworks adsorption has been extensively explored, exploitation discrete metallocage bind gases in its infancy. Herein we have investigated solid state properties a series [Pd2(L)4]4+ lantern shaped coordination cages (L = variants 2,6-bis(pyridin-3-ylethynyl)pyridine) which had solvent accessible internal cavities suitable binding. showed little interaction with dinitrogen but were able take up CO2. best performing cage reversibly sorbed 1.4 mol per at 298 K, 2.3 258 K (1 bar). enthalpy binding was calculated be 25 - 35 kJ mol-1, across number equivalents bound, while DFT calculations on gave ΔE cage-CO2 23 28 same range. modelling suggested that mode is hydrogen bond between carbonyl oxygen internally directed atoms cage.