Journal ArticleDOI
Highly controlled acetylene accommodation in a metal–organic microporous material
Ryotaro Matsuda,Ryo Kitaura,Ryo Kitaura,Susumu Kitagawa,Yoshiki Kubota,Rodion V. Belosludov,Tatsuo C. Kobayashi,Hirotoshi Sakamoto,Takashi Chiba,Masaki Takata,Yoshiyuki Kawazoe,Yoshimi Mita +11 more
TLDR
High levels of selective sorption of acetylene molecules as compared to a very similar molecule, carbon dioxide, onto the functionalized surface of a MOM are reported.Abstract:
Metal-organic microporous materials (MOMs) have attracted wide scientific attention owing to their unusual structure and properties, as well as commercial interest due to their potential applications in storage, separation and heterogeneous catalysis. One of the advantages of MOMs compared to other microporous materials, such as activated carbons, is their ability to exhibit a variety of pore surface properties such as hydrophilicity and chirality, as a result of the controlled incorporation of organic functional groups into the pore walls. This capability means that the pore surfaces of MOMs could be designed to adsorb specific molecules; but few design strategies for the adsorption of small molecules have been established so far. Here we report high levels of selective sorption of acetylene molecules as compared to a very similar molecule, carbon dioxide, onto the functionalized surface of a MOM. The acetylene molecules are held at a periodic distance from one another by hydrogen bonding between two non-coordinated oxygen atoms in the nanoscale pore wall of the MOM and the two hydrogen atoms of the acetylene molecule. This permits the stable storage of acetylene at a density 200 times the safe compression limit of free acetylene at room temperature.read more
Citations
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Journal ArticleDOI
Methane sorption and structural characterization of the sorption sites in Zn2(bdc)2(dabco) by single crystal X-ray crystallography.
Hyunuk Kim,Denis G. Samsonenko,Sunirban Das,Ghyung-Hwa Kim,Heung-Soo Lee,Danil N. Dybtsev,E. A. Berdonosova,Kimoon Kim +7 more
TL;DR: X-ray structure analysis of methane-adsorbed Zn(2)(bdc)(2)(dabco) by synchrotron radiation at 90 K revealed that methane molecules occupy three independent sorption sites (A, B, and C), which is consistent with the results of the gas sorption measurements at 198 K.
Journal ArticleDOI
A new scandium metal organic framework built up from octadecasil zeolitic cages as heterogeneous catalyst
Felipe Gándara,Berta Gómez-Lor,Marta Iglesias,Natalia Snejko,Enrique Gutiérrez-Puebla,Angeles Monge +5 more
TL;DR: Zeolitic cages of the AST type are found in the novel scandium-squarate MOF, and the joining of them gives rise to a new binodal network with a unique topology; this new material is an efficient heterogeneous Lewis acid catalyst.
Journal ArticleDOI
Structural Diversity of Four Metal–Organic Frameworks Based on Linear Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal Structures and Luminescent and Magnetic Properties
TL;DR: In this article, four new homo- and heterometallic metal-organic frameworks (MOFs) based on linear homo/heterotrinuclear nodes were obtained under solvothermal conditions and characterized by single crystal X-ray diffraction, magnetic susceptibility, and luminescence measurements.
Journal ArticleDOI
Selective electrocatalytic semihydrogenation of acetylene impurities for the production of polymer-grade ethylene
Jun Bu,Zhenpeng Liu,Wenxiu Ma,Lei Zhang,Tao Wang,Hepeng Zhang,Qiuyu Zhang,Xinliang Feng,Jian Zhang +8 more
TL;DR: In this paper, an electrocatalytic semihydrogenation strategy was proposed to selectively reduce acetylene impurities to ethylene under ambient conditions, achieving high specific selectivity of 97%.
Journal ArticleDOI
Water-Stable Europium 1,3,6,8-Tetrakis(4-carboxylphenyl)pyrene Framework for Efficient C2H2/CO2 Separation.
TL;DR: An elegant example of a water-stable metal-organic framework for effective C2H2/CO2 separation is demonstrated.
References
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Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
Journal ArticleDOI
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation.
John P. Perdew,J. A. Chevary,S. H. Vosko,Koblar A. Jackson,Mark R. Pederson,David J. Singh,Carlos Fiolhais +6 more
TL;DR: A way is found to visualize and understand the nonlocality of exchange and correlation, its origins, and its physical effects as well as significant interconfigurational and interterm errors remain.
Journal ArticleDOI
Functional porous coordination polymers.
TL;DR: The aim is to present the state of the art chemistry and physics of and in the micropores of porous coordination polymers, and the next generation of porous functions based on dynamic crystal transformations caused by guest molecules or physical stimuli.
Journal ArticleDOI
Reticular synthesis and the design of new materials
Omar M. Yaghi,Michael O'Keeffe,Nathan W. Ockwig,Hee K. Chae,Hee K. Chae,Mohamed Eddaoudi,Jaheon Kim +6 more
TL;DR: This work has shown that highly porous frameworks held together by strong metal–oxygen–carbon bonds and with exceptionally large surface area and capacity for gas storage have been prepared and their pore metrics systematically varied and functionalized.