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Embedding alkenes within an icosahedral inorganic fullerene {(NH 4 ) 42 [Mo 132O372(L)30(H2O)72]} for trapping volatile organics

DOI: 10.1039/C9SC06217C DOI Help

Authors: Robert W. Pow (University of Glasgow) , Weimin Xuan (The University of Glasgow) , Deliang Long (University of Glasgow) , Nicola L Bell (University of Glasgow) , Lee Cronin (University of Glasgow)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chemical Science

State: Published (Approved)
Published: January 2020
Diamond Proposal Number(s): 18953

Open Access Open Access

Abstract: Eight alkene-functionalized molybdenum-based spherical Keplerate-type (inorganic fullerene) structures have been obtained via both direct and multistep synthetic approaches. Driven by the opportunity to design unique host-guest interactions within hydrophobic, π-electron rich confined environments, we have synthesized {(NH4)42[Mo132O372(L)30(H2O)72]}, where L = (1) acrylic acid, (2) crotonic acid, (3) methacrylic acid, (4) tiglic acid, (5) 3-butenoic acid, (6) 4-pentenoic acid, (7) 5-hexenoic acid, and (8) sorbic acid. The compounds, which are obtained in good yield (10‑40%), contain 30 carboxylate-coordinated alkene ligands which create a central cavity with hydrophobic character. Extensive Nuclear Magnetic Resonance (NMR) spectroscopy studies contribute significantly to the complete characterization of the structures obtained, including both 1D and 2D measurements. In addition, single-crystal X-ray crystallography and subsequently-generated electron density maps are employed to highlight the distribution in ligand tail positions. These alkene-containing structures are shown to effectively encapsulate small alkyl thiols (1-propanethiol (A), 2-propanethiol (B), 1-butanethiol (C), 2-butanethiol (D) and 2-methyl-1-propanethiol (E)) as guests within the central cavity in aqueous solution. The hydrophobically driven clustering of up to 6 equivalents of volatile thiol guests within the central cavity of the Keplerate-type structure results in effective thermal protection, preventing evaporation at elevated temperatures (ΔT ≈ 25 K).

Subject Areas: Chemistry

Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 29/01/2020 12:22


Discipline Tags:

Chemistry Inorganic Chemistry

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD)