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Encapsulation of Various Guests by an Anionic In-Metal–Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal–Organic Framework

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https://figshare.com/articles/dataset/Encapsulation_of_Various_Guests_by_an_Anionic_In_Metal_Organic_Framework_Containing_Tritopic_BTB_Ligand_Crystal_Structure_of_Reichardt_s_Dye_Captured_in_an_In_Metal_Organic_Framework/2250487
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The reaction between 1,3,5-benzenetribenzoic acid (H3BTB) and In­(NO3)3 hydrate in diethylformamide yielded a new InIII-metal-organic framework, [(CH3CH2)2NH2]3­[In3(BTB)4]­·10DEF­·14H2O (I). The countercation and solvent-free doubly interpenetrated I potentially contains 71.0% of solvent accessible void. Although the framework of I was not stable enough to maintain its original structure when the solvent molecules were removed, the as-prepared I was found to be a very good sorbent for acridine orange hydrochloride, a large Reichardt’s dye, and hydrophobic iodine molecule in solution. The as-prepared I exhibited increased uptake amount in the order of Reichardt’s dye > acridine orange hydrochloride > iodine. The largest uptake of the bulky Reichardt’s dye by I could be attributed to the optimized structural fitting of Reichardt’s dye into the large three-dimensional void space of I. The structure of Reichardt’s dye-encapsulated I_RD was unambiguously revealed by X-ray crystallography for the first time.
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2016-02-16
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