900c580e362986b81b54b9c6bb617951 pmc_31484428.pdf 25836405a80b46805e34c99b716357b099ed8d58 pmc_31484428.pdf b96e22a1eb42b4f856deee97b03304aed179ea8af8234cb5bdad7adbc4046f04 pmc_31484428.pdf Title: A Reversible Phase Transition of 2D Coordination Layers by B–HCu(II) Interactions in a Coordination Polymer Subject: 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–HCu interactions by a combination of single-crystal (SCXRD), powder (PXRD) X-ray diffraction, Raman spectroscopy, and DFT calculations. Keywords: metal-organic frameworks; open metal sites; boron hydrides; carborane; reversible phase transition Author: Lei Gan, Pol G. Fonquernie, Mark E. Light, Gantulga Norjmaa, Gregori Ujaque, Duane Choquesillo-Lazarte, Julio Fraile, Francesc Teixidor, Clara Viñas and José G. 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