title: A porous metal-organic framework with dynamic pyrimidine groups exhibiting record high methane storage working capacity.
abstract: 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.
authors.affiliation: Department of Chemistry, University of Texas at San Antonio , San Antonio, Texas 78249, United States.
authors.forename: Bin
authors.initials: B
authors.lastname: Li
authors.forename: Hui-Min
authors.initials: HM
authors.lastname: Wen
authors.forename: Hailong
authors.initials: H
authors.lastname: Wang
authors.forename: Hui
authors.initials: H
authors.lastname: Wu
authors.forename: Madhusudan
authors.initials: M
authors.lastname: Tyagi
authors.forename: Taner
authors.initials: T
authors.lastname: Yildirim
authors.forename: Wei
authors.initials: W
authors.lastname: Zhou
authors.forename: Banglin
authors.initials: B
authors.lastname: Chen
mesh_terms: D000327:Adsorption; D008697:Methane / Q000302:isolation & purification*; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000737:chemistry*; D016062:Porosity; D011312:Pressure; D011743:Pyrimidines / Q000737:chemistry*
chemical_list: D009942:Organometallic Compounds; D011743:Pyrimidines; C030986:pyrimidine; D008697:Methane