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 ∼260 cm3 (STP) cm–3 at
298 K and 65 bar, and record high working capacity of ∼200
cm3 (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.