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
Effect of Functionalized Groups on Gas-Adsorption Properties: Syntheses of Functionalized Microporous Metal–Organic Frameworks and Their High Gas-Storage Capacity
Yanlong Wang,Chunhong Tan,Zhihao Sun,Zhenzhen Xue,Qi-Long Zhu,Chaojun Shen,Yuehong Wen,Shengmin Hu,Yong Wang,Tianlu Sheng,Xintao Wu +10 more
TL;DR: Single-crystal X-ray diffraction analyses confirmed that the two functionalized MMOFs are isostructural to their parent MMOF, and are twofold interpenetrated three-dimensional (3D) microporous frameworks.
Journal ArticleDOI
Removal and safe reuse of highly toxic allyl alcohol using a highly selective photo-sensitive metal–organic framework
TL;DR: In this article, a facile and green approach to remove, convert and even release highly toxic allyl alcohol inside a MOF was reported, which gave an ultra-big photo-switching behavior of more than 19 times, whereas a sharp increase up to 90 mg g−1 (1.03 mol mol−1) under UV (297 nm) irradiation was observed.
Journal ArticleDOI
C2s/C1 hydrocarbon separation: The major step towards natural gas purification by metal-organic frameworks (MOFs)
Rupam Sahoo,Madhab C. Das +1 more
TL;DR: In this article, a review of the development of porous metal-organic frameworks (MOFs) with the superiority over other developed porous materials for C2s/C1 hydrocarbon separations is presented.
Journal ArticleDOI
Metal‐Organic Frameworks Reactivate Deceased Diatoms to be Efficient CO2 Absorbents
Dingxin Liu,Jiajun Gu,Qinglei Liu,Yongwen Tan,Zhuo Li,Wang Zhang,Yishi Su,Wuxia Li,Ajuan Cui,Changzhi Gu,Di Zhang +10 more
TL;DR: Diatomite combined with certain metal-organic frameworks (MOFs) is shown to be an effective CO2 absorbent, although diatomite alone is regarded as inert with respect to CO2 absorption.
Journal ArticleDOI
Neutron Scattering and Spectroscopic Studies of Hydrogen Adsorption in Cr3(BTC)2—A Metal−Organic Framework with Exposed Cr2+ Sites
Kenji Sumida,Jae-Hyuk Her,Jae-Hyuk Her,Mircea Dincă,Leslie J. Murray,Jennifer Schloss,Christopher Pierce,Benjamin Thompson,Stephen A. FitzGerald,Craig M. Brown,Jeffrey R. Long +10 more
TL;DR: The structure of Cr3(BTC)2 (BTC3− = 1,3,5-benzenetricarboxylate) consists of dinuclear paddlewheel secondary building units connected by triangular BTC3− bridging ligands to form a three-dimensional, cubic framework as discussed by the authors.
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.