A Reversible Phase Transition of 2D Coordination Layers by B–H∙∙∙Cu(II) Interactions in a Coordination Polymer Gan, Lei Fonquernie, Pol G. Light, Mark E. Norjmaa, Gantulga Ujaque, Gregori Choquesillo Lazarte, Duane Fraile, Julio Teixidor, Francesc Viñas, Clara Planas, José G. Metal-organic Frameworks (MOFs) Open metal sites Boron hydrides Carborane Reversible phase transition Materials that combine flexibility and open metal sites are crucial for myriad applications. In this article, we report a 2D coordination polymer (CP) assembled from CuII ions and a flexible meta-carborane-based linker [Cu2(L1)2(Solv)2]•xSolv (1-DMA, 1-DMF, and 1-MeOH; L1: 1,7-di(4-carboxyphenyl)-1,7-dicarba-closo-dodecaborane). 1-DMF undergoes an unusual example of reversible phase transition on solvent treatment (i.e., MeOH and CH2Cl2). Solvent exchange, followed by thermal activation provided a new porous phase that exhibits an estimated Brunauer-Emmett-Teller (BET) surface area of 301 m2 g−1 and is capable of a CO2 uptake of 41 cm3 g−1. The transformation is reversible and 1-DMF is reformed on addition of DMF to the porous phase. We provide evidence for the reversible process being the result of the formation/cleavage of weak but attractive B–H∙∙∙Cu interactions by a combination of single-crystal (SCXRD), powder (PXRD) X-ray diffraction, Raman spectroscopy, and DFT calculations. 2019-11-07T08:08:20Z 2019-11-07T08:08:20Z 2019-09-03 info:eu-repo/semantics/article Gan, L.; Fonquernie, P.G.; Light, M.E.; Norjmaa, G.; Ujaque, G.; Choquesillo-Lazarte, D.; Fraile, J.; Teixidor, F.; Viñas, C.; Planas, J.G. A Reversible Phase Transition of 2D Coordination Layers by B–H∙∙∙Cu(II) Interactions in a Coordination Polymer. Molecules 2019, 24, 3204. [doi:10.3390/molecules24173204] http://hdl.handle.net/10481/57718 10.3390/molecules24173204 eng http://creativecommons.org/licenses/by/3.0/es/ info:eu-repo/semantics/openAccess Atribución 3.0 España MDPI