Mechanism of Breathing Transitions in Metal-Organic Frameworks

被引：74

作者：

Triguero, Carles ^{[1
,2
]}

Coudert, Francois-Xavier ^{[1
,2
]}

Boutin, Anne ^{[3
]}

Fuchs, Alain H. ^{[1
,2
]}

Neimark, Alexander V. ^{[1
,2
,4
]}

机构：

[1] Chim ParisTech, Paris, France

[2] LECIME, CNRS, Paris, France

[3] UPMC CNRS, Lab PASTEUR, Dept Chim, Ecole Normale Super, Paris, France

[4] Rutgers State Univ, Dept Chem & Biochem Engn, Piscataway, NJ 08855 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2011年 / 2卷 / 16期

关键词：

STRUCTURAL TRANSITIONS; MIL-53; MODEL;

D O I：

10.1021/jz2008769

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We present a multiscale physical mechanism and a stochastic model of breathing transitions, which represent adsorption-induced structural transformations between large-pore and narrow-pore conformations in bistable metal-organic frameworks, such as MIL-53. We show that due to interplay between host framework elasticity and guest molecule adsorption, these transformations on the level of the crystal occur via layer-by-layer shear. We construct a simple Hamiltonian that describes the physics of host-host and host-guest interactions and show that a respective Monte Carlo simulation model qualitatively reproduces the experimentally observed features of breathing transitions.

引用

收藏

页码：2033 / 2037

页数：5

相关论文

共 22 条

[1] Discrete crystal elasticity and discrete dislocations in crystals [J].

Ariza, MP ;

Ortiz, M .

ARCHIVE FOR RATIONAL MECHANICS AND ANALYSIS, 2005, 178 (02) :149-226

[2] Using Pressure to Provoke the Structural Transition of Metal-Organic Frameworks [J].

Beurroies, Isabelle ;

Boulhout, Mohammed ;

Llewellyn, Philip L. ;

Kuchta, Bogdan ;

Ferey, Gerard ;

Serre, Christian ;

Denoyel, Renaud .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2010, 49 (41) :7526-7529

[3] The Behavior of Flexible MIL-53(Al) upon CH4 and CO2 Adsorption [J].

Boutin, Anne ;

Coudert, Francois-Xavier ;

Springuel-Huet, Marie-Anne ;

Neimark, Alexander V. ;

Ferey, Gerard ;

Fuchs, Alain H. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (50) :22237-22244

[4] Breathing Transitions in MIL-53(Al) Metal-Organic Framework Upon Xenon Adsorption [J].

Boutin, Anne ;

Springuel-Huet, Marie-Anne ;

Nossov, Andrei ;

Gedeon, Antoine ;

Loiseau, Thierry ;

Volkringer, Christophe ;

Ferey, Gerard ;

Coudert, Francois-Xavier ;

Fuchs, Alain H. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2009, 48 (44) :8314-8317

[5] Thermodynamics of Guest-induced Structural Transitions in Hybrid Organic-Inorganic Frameworks [J].

Coudert, Francois-Xavier ;

Jeffroy, Marie ;

Fuchs, Alain H. ;

Boutin, Anne ;

Mellot-Draznieks, Caroline .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 130 (43) :14294-14302

[6] Thermodynamic Methods and Models to Study Flexible Metal-Organic Frameworks [J].

Coudert, Francois-Xavier ;

Boutin, Anne ;

Jeffroy, Marie ;

Mellot-Draznieks, Caroline ;

Fuchs, Alain H. .

CHEMPHYSCHEM, 2011, 12 (02) :247-258

[7] Large breathing effects in three-dimensional porous hybrid matter: facts, analyses, rules and consequences [J].

Ferey, Gerard ;

Serre, Christian .

CHEMICAL SOCIETY REVIEWS, 2009, 38 (05) :1380-1399

[8]

Horike S, 2009, NAT CHEM, V1, P695, DOI [10.1038/nchem.444, 10.1038/NCHEM.444]

[9]

ICANG HC, 1989, J CHEM PHYS, V90, P2824

[10] Adsorption-induced deformation of microporous carbons: Pore size distribution effect [J].

Kowalczyk, Piotr ;

Ciach, Alina ;

Neimark, Alexander V. .

LANGMUIR, 2008, 24 (13) :6603-6608