An article An Expandable Hydrogen-Bonded Organic Framework Characterized by Three-Dimensional Electron Diffraction WOS:000555420600024 published article about CRYSTAL-STRUCTURES; DATA-COLLECTION; TOMOGRAPHY; SEPARATION; MOLECULES; CAGE; CRYSTALLIZATION; ADSORPTION; LANDSCAPES; NETWORKS in [Cui, Peng; Wu, Yue; Clowes, Rob; Little, Marc A.; Cooper, Andrew, I] Univ Liverpool, Dept Chem & Mat Innovat Factory, Liverpool L7 3NY, Merseyside, England; [Spackman, Peter R.; Day, Graeme M.; Cooper, Andrew, I] Univ Liverpool, Leverhulme Res Ctr Funct Mat Design, Liverpool L7 3NY, Merseyside, England; [Grape, Erik Svensson; Inge, A. Ken] Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden; [Spackman, Peter R.; Day, Graeme M.] Univ Southampton, Sch Chem, Computat Syst Chem, Southampton SO17 1BJ, Hants, England in 2020, Cited 75. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Recommanded Product: 151-10-0
A molecular crystal of a 2-D hydrogen-bonded organic framework (HOF) undergoes an unusual structural transformation after solvent removal from the crystal pores during activation. The conformationally flexible host molecule, ABTPA, adapts its molecular conformation during activation to initiate a framework expansion. The microcrystalline activated phase was characterized by three-dimensional electron diffraction (3D ED), which revealed that ABTPA uses out-of-plane anthracene units as adaptive structural anchors. These units change orientation to generate an expanded, lower density framework material in the activated structure. The porous HOF, ABTPA-2, has robust dynamic porosity (SA(BET) = 1 183 m(2) g(-1)) and exhibits negative area thermal expansion. We use crystal structure prediction (CSP) to understand the underlying energetics behind the structural transformation and discuss the challenges facing CSP for such flexible molecules.
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