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Instruments / Technical Area	Publication Details	Published
I19-Small Molecule Single Crystal Diffraction	Influence of interpenetration on the flexibility of MUV-2 María Vicent-morales , Iñigo J. Vitorica-yrezabal , Manuel Souto , Guillermo Mínguez Espallargas Crystengcomm 341 DOI: 10.1039/C9CE00233B Diamond Proposal Number(s): [17379] Show Abstract ▼ Abstract: The crystal structure of an interpenetrated tetrathiafulvalene (TTF)-based metal–organic framework (MOF) is reported. This MOF, denoted as MUV-2-i, is the interpenetrated analogue of the hierarchical and flexible MUV-2. Interestingly, the large flexibility exhibited by MUV-2 upon polar solvent adsorption is considerably reduced in the interpenetrated form which can be explained by short S⋯S interactions between adjacent TTF-based ligands ensuring more rigidity in the framework. In addition, the porosity of MUV-2-i is significantly decreased in comparison to that of MUV-2 as shown by the reduced free volume in the crystal structure.	Apr 2019
I19-Small Molecule Single Crystal Diffraction	Breathing-dependent redox activity in a tetrathiafulvalene-based metal-organic framework Manuel Souto , Jorge Romero , Joaquín Calbo , Iñigo J. Vitorica-yrezabal , Jose L. Zafra , Juan Casado Cordón , Enrique Ortí , Aron Walsh , Guillermo Minguez Espallargas Journal Of The American Chemical Society DOI: 10.1021/jacs.8b05890 Diamond Proposal Number(s): [17379] Show Abstract ▼ Abstract: “Breathing” metal-organic frameworks (MOFs) exhibiting changes in their structural and physical properties upon an external stimulus are an interesting class of crystalline materials due to their potential applications including chemical sensors. The addition of redox activity opens up a new pathway for multi-functional “breathing” frameworks. Herein we report the continuous breathing behavior of a tetrathiafulvalene (TTF)-based MOF showing a reversible swelling (up to ca. 40% of the volume cell) upon solvent adsorption. Importantly, the planarity of the TTF linkers is influenced by the breathing behavior, directly impacting on their electrochemical properties, thus opening the way for the development of new electrochemical sensors. Quantum chemical calculations and Raman spectroscopy have been used to provide insights into the tunability of the oxidation potential.	Jul 2018
I19-Small Molecule Single Crystal Diffraction	A Highly Stable and Hierarchical Tetrathiafulvalene-based Metal-Organic Framework with Improved Performance as Solid Catalyst Manuel Souto , Andrea Santiago-portillo , Miguel Palomino , Inigo Vitorica , Bruno J. C. Vieira , João Carlos Carlos Waerenborgh , Susana Valencia , Sergio Navalon , Fernando Rey , Hermenegildo Garcia , Guillermo Minguez Espallargas Chemical Science DOI: 10.1039/C7SC04829G Diamond Proposal Number(s): [17379] Show Abstract ▼ Abstract: Herein we report the synthesis of a tetrathiafulvalene (TTF)-based MOF, namely MUV-2, which shows a non-interpenetrated hierarchical crystal structure with mesoporous one-dimensional channels of ca. 3 nm and orthogonal microporous channels of ca. 1 nm. This highly stable MOF (aqueous solution with pH values ranging 2-11 and different organic solvents), possessing the well-known [Fe3(mu3-O)(COO)6] secondary building unit, has proven to be an efficient catalyst for the aerobic oxidation of dibenzothiophenes.	Jan 2018

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