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
Functionalized Coordination Space in Metal-Organic Frameworks
Roland A. Fischer,Christof Wöll +1 more
Journal ArticleDOI
Storage and Sorption Properties of Acetylene in Jungle‐Gym‐Like Open Frameworks
Daisuke Tanaka,Masakazu Higuchi,Satoshi Horike,Ryotaro Matsuda,Yoshinori Kinoshita,Nobuhiro Yanai,Susumu Kitagawa +6 more
TL;DR: Of the compounds 1 and 2, the porous crystals 2 c had the highest affinity for acetylene, and the adsorption amounts for 2 c and 2 b at 298 K, 1 atm were higher than those of other conventional porous materials.
Journal ArticleDOI
Synthesis, Structures, and Photoluminescence of Zinc(II), Cadmium(II), and Mercury(II) Coordination Polymers Constructed from Two Novel Tetrapyridyl Ligands
TL;DR: In this article, a 3D binodal (3,4)-connected coordination polymers with the Schlafli symbol of (8.102)2(84.102).
Journal ArticleDOI
Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds
TL;DR: This discrete molecular system shows unique solvent-dependent SCO behavior related to the nature of solvent molecules; the distinct color changes during guest exchange originate from the alternations of electronic states of the guest-sensitive Fe(II) centers, providing an effective route to fine-tune and optimize materials' properties by systematic structural perturbation, or serving for detection of toxic gases.
Journal ArticleDOI
Confined Heteropoly Blues in Defected Zr-MOF (Bottle Around Ship) for High-Efficiency Oxidative Desulfurization.
TL;DR: Postsynthetic modification of POMs confined in MOFs by adding thiourea creates more unsaturated metal sites as defects, promoting ODS catalytic activity, and can be applied to design and synthesize other Poms/MOFs composites as efficient catalysts.
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.