Prediction of the conditions for breathing of metal organic framework materials using a combination of X-ray powder diffraction, microcalorimetry, and molecular simulation

Journal of the American Chemical Society

Volumn 130, Issue 38, 2008, Pages 12808-12814

  Llewellyn, Philip L ^a   Maurin, Guillaume ^b   Devic, Thomas ^c   Loera Serna, Sandra ^a   Rosenbach, Nilton ^b   Serre, Christian ^c   Bourrelly, Sandrine ^a   Horcajada, Patricia ^c   Filinchuk, Yaroslav ^d   Férey, Gérard ^c,e  

^a AIX MARSEILLE UNIVERSITY   (France)

^b UNIVERSITÉ DE MONTPELLIER   (France)

^c UNIVERSITÉ DE VERSAILLES SAINT QUENTIN EN YVELINES   (France)

^d EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

^e INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALORIMETERS; CARBON DIOXIDE; CRYSTALLINE MATERIALS; DIFFRACTION; ENTHALPY; FLEXIBLE STRUCTURES; FORECASTING; HIGH PRESSURE ENGINEERING; ORGANOMETALLICS; VAN DER WAALS FORCES; X RAY POWDER DIFFRACTION; X RAYS;

ADSORPTION ENTHALPIES; ENTHALPY OF ADSORPTION; EXPERIMENTAL INVESTIGATIONS; METAL ORGANIC FRAMEWORK; METAL ORGANIC FRAMEWORK MATERIALS; STRUCTURAL INFORMATION; STRUCTURAL TRANSITIONS; SYNCHROTRON X RAY POWDER DIFFRACTION;

POWDER METALS;

CARBON DIOXIDE; HYDROCARBON; METAL; METHANE; ORGANIC COMPOUND; WATER;

ADSORPTION; ARTICLE; CHEMICAL STRUCTURE; ENTHALPY; MICROCALORIMETRY; MOLECULAR DYNAMICS; MOLECULAR MODEL; PREDICTION; SIMULATION; THERMODYNAMICS; X RAY POWDER DIFFRACTION;

EID: 52449110278     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja803899q     Document Type: Article

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