Department of Chemistry, University of Texas at San Antonio , San Antonio, Texas 78249, United States.
J Am Chem Soc. 2014 Apr 30;136(17):6207-10. doi: 10.1021/ja501810r. Epub 2014 Apr 15.
We have realized a new porous metal-organic framework UTSA-76a with pyrimidine groups on the linker, exhibiting high volumetric methane uptake of ~260 cm(3) (STP) cm(-3) at 298 K and 65 bar, and record high working capacity of ~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.
我们实现了一种新的多孔金属-有机骨架 UTSA-76a，其连接体上带有嘧啶基团，在 298 K 和 65 巴的条件下，甲烷的体积吸附量高达约 260 cm(3)（STP）cm(-3)，工作容量高达约 200 cm(3)（STP）cm(-3)（5 至 65 巴之间）。这种异常高的工作容量归因于 UTSA-76a 内部的中央“动态”嘧啶基团，通过计算研究和中子散射实验表明，这些基团能够调整其取向，以在高压下优化甲烷的堆积。
