Mendes, Patrícia A.P.Horcajada, PatriciaRives, SébastienRen, HongRodrigues, AlírioDevic, ThomasMagnier, EmmanuelTrens, PhilippeJobic, HervéOllivier, JacquesMaurin, GuillaumeSerre, ChristianSilva, José A.C.2015-12-212015-12-212014Mendes, Patricia A. P.; Horcajada, Patricia; Rives, Sébastien; Ren, Hong; Rodrigues, A.E.; Devic, Thomas; Magnier, Emmanuel; Trens, Philippe; Jobic, Hervé; Ollivier, Jacques; Maurin, Guillaume; Serre, Christian; Silva, José A.C. (2014). A complete separation of hexane isomers by a functionalized flexible metal organic framework. Advanced Functional Materials. ISSN 1616-3028. 8:24, p.7666-76731616-3028http://hdl.handle.net/10198/12534The separation ability of branched alkane isomers (nHEX, 3MP, 22DMB) of the flexible and functionalized microporous iron(III) dicarboxylate MIL-53(Fe)-(CF3)2 solid is evaluated through a combination of breakthrough experiments (binary or ternary mixtures), adsorption isotherms, X-ray diffraction temperature analysis, quasi-elastic neutron scattering measurements and molecular dynamics simulations. A kinetically controlled molecular sieve separation between the di-branched isomer of hexane 22DMB from a mixture of paraffins is achieved. The reported total separation between mono- and di-branched alkanes which was neither predicted nor observed so far in any class of porous solids is spectacular and paves the way towards a potential unprecedented upgrading of the RON of gasoline.engHexane isomersFunctionalised MOFsjournal article10.1002/adfm.201401974