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
More filters
Journal ArticleDOI
Fine-Tuning Porous Metal-Organic Frameworks for Gas Separations at Will
Bin Li,Banglin Chen +1 more
TL;DR: In this paper, the pore sizes, metrics, and binding sites within two closely related porous metal-organic frameworks can be finely tuned to realize separations of C 2 H 2 and CO 2 mixtures at will.
Journal ArticleDOI
An anionic metal–organic framework constructed from a triazole-functionalized diisophthalate featuring hierarchical cages for selective adsorptive C2H2/CH4 and CO2/CH4 separation
TL;DR: In this paper, a triazole-functionalized bent diisophthalate ligand was used to construct an anionic copper-based MOF under solvothermal reaction conditions.
Journal ArticleDOI
Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units
TL;DR: In this article, a secondary building unit (SBU) was used as a secondary unit in the design and synthesis of a linear coordination network, which was found to form halogen-bonded networks rather than coordination networks with simple short linkers such as 1,4-dioxane and diazabicyclo(2.2)octane (dabco).
Journal ArticleDOI
A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.
Yun-Sheng Ma,Yun-Sheng Ma,Ryotaro Matsuda,Ryotaro Matsuda,Ryotaro Matsuda,Hiroshi Sato,Yuh Hijikata,Liangchun Li,Shinpei Kusaka,Mawlin Foo,Fengfeng Xue,George Akiyama,Rong-Xin Yuan,Susumu Kitagawa +13 more
TL;DR: It is found that the adsorbed gas molecules induced significant structural change involving dimensional change of the pore from one-dimensional to three-dimensional, and subsequently, additional gas molecules formed periodic molecular clusters in the nanospace.
Patent
Nanoporous carbohydrate frameworks and the sequestration and detection of molecules using the same
TL;DR: In this article, cyclodextrin-based metal organic frameworks comprising a metal cation and cyclodexxtrin or a cyclodesxtrin derivative are described. But they are permanently porous and capable of molecule storage.
References
More filters
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.