A Porous Metal-Organic Framework with Dynamic Pyrimidine Groups Exhibiting Record High Methane Storage Working Capacity

We have realized a new porous metal-organic framework UTSA-76a with pyrimidine groups on the linker, exhibiting high volumetric methane uptake of similar to 260 cm(3) (STP) cm(-3) at 298 K and 65 bar, and record high working capacity of similar to 200 cm(3) (STP) cm(-3) (between 5 and 65 bar). Such exceptionally high working capacity is attributed to the central dynamic pyrimidine groups within UTSA-76a, which are capable of adjusting their orientations to optimize the methane packing at high pressure, as revealed by computational studies and neutron scattering experiments.