Enhanced Cooperativity in Supported Spin-Crossover Metal-Organic Frameworks
Groizard, Thomas (Université de Rennes)
Papior, Nick (Institut Català de Nanociència i Nanotecnologia)
Le Guennic, Boris (Université de Rennes)
Robert, Vincent (Université de Strasbourg)
Kepenekian, Mikaël (Institut des Sciences Chimiques de Rennes)

Data:	2017
Resum:	The impact of surface deposition on cooperativity is explored in Au(111)-supported self-assembled metal-organic frameworks (MOFs) based on Fe(II) ions. Using a thermodynamic model, we first demonstrate that dimensionality reduction combined with deposition on a metal surface is likely to deeply enhance the spin-crossover cooperativity, going from γ = 16 K for the bulk material to γ2D = 386 K for its 2D supported derivative. On the basis of density functional theory, we then elucidate the electronic structure of a promising Fe-based MOF. A chemical strategy is proposed to turn a weakly interacting magnetic system into a strongly cooperative spin-crossover monolayer with γMOF = 83 K. These results open a promising route to the fabrication of cooperative materials based on SCO Fe(II) platforms.
Ajuts:	European Commission 676598
Drets:	Tots els drets reservats.
Llengua:	Anglès
Document:	Article ; recerca ; Versió sotmesa a revisió
Matèria:	Chemical strategy ; Dimensionality reduction ; Magnetic system ; Metal organic framework ; Metalorganic frameworks (MOFs) ; Spin crossovers ; Surface deposition ; Thermodynamic model
Publicat a:	Journal of physical chemistry letters, Vol. 8, Issue 14 (July 2017) , p. 3415-3420, ISSN 1948-7185

DOI: 10.1021/acs.jpclett.7b01248

Preprint 20 p, 1.9 MB

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