Abstract:A guest-induced flexibility in the framework DUT-13 was investigated in situ to analyze the breathing mechanism upon physisorption of nitrogen (77 K) and n-butane (273 K). The crystal structure of cp phase, solved from PXRD data using the computation-assisted semiempirical approach, shows two times smaller pore volume, compared to the op phase, which is consistent with the corresponding isotherms. The contraction mechanism is mainly based on the conformational isomerism of the benztb4- linker, which transforms… Show more
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