A HKUST-1 MOF inclusion compound with in-situ reduced copper(I) as [Cu(NCCH3)4]+ cation complex in the octahedral A-type pore. (15th October 2016)

• Record Type: Journal Article
• Authors: Tahli, Anas; Elshaarawy, Reda F.M.; Köc, Ümit; Kautz, Anna Christin; Janiak, Christoph
• Is Part Of: Polyhedron. Volume 117(2016)
• Page Start: 579
• Page End: 584
• Publication Date: 2016-10-15
• Subjects: Metal–organic framework MOF -- HKUST-1 -- Inclusion compound -- In-situ reduction -- Mixed-valence; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2016.06.039
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: The first HKUST-1 inclusion derivative with a defined guest in the octahedral A-type pores. Abstract: Hydrothermal reaction of racemic 1, 2-bis(1, 2, 4-triazol-4-yl)propane ( rac -btrip) and benzene-1, 3, 5-tricarboxylic acid (H3 btc) with copper(II) acetate in an aqueous triethylamine and acetonitrile mixture afforded blue-green cuboctahedral crystals of the MOF inclusion compound 3D-{[Cu(NCCH3 )4 ][Cu3 (μ6 -btc)2 ]2 (O2 CCH3 ) (H2 O, CH3 CN) x (btrip)1.5 } n, 1 . This MOF is isostructural with the prototypical MOF HKUST-1 (Cu3 (btc)2, Cu-btc) and the first HKUST-1 derivative which accommodates a defined guest, namely the cationic tetra(acetonitrile)copper(I) complex [Cu(NCCH3 )4 ] + in the A-type octahedral pores of the 3D HKUST-1 framework. In-situ reduction of Cu(II) to Cu(I) in the course of the hydrothermal synthesis is afforded by the sacrificial btrip ligand which is not incorporated as a linker but as a template molecule into the cuboctahedral B- and C-type pores according to 1 H NMR digestion analysis. N2 adsorption isotherm analysis for the activated HKUST-1 inclusion compound1 gave a BET surface area of 576 m 2 /g.