Chameleonic layered metal–organic frameworks with variable charge-ordered states triggered by temperature and guest molecules

Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi

doi:10.1039/d0sc00684j

Cited by 29 publications

(49 citation statements)

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“…Similar effects were previously reported in paramagnetic MOFs where strong interdependence between sorption and other physical properties occurs. [54][55][56][57][58][59][60] In some cases, the profound structural and electronic changes induced by guest molecules enable the characterization/monitoring of the sorption process using EPR spectroscopy. This can be done directly in the case of paramagnetic guests [61][62][63][64][65] or indirectly by analysing the g-factor shift of paramagnetic metal centers as in some Cu II -based porous materials.…”

Section: Introductionmentioning

confidence: 99%

Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer

et al. 2021

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Section: Introductionmentioning

confidence: 99%

Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer

et al. 2021

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“…(-125.2 cm −1 ), using an unspecified Hamiltonian 75. It is well-known that hybrid functionals tend to overestimate J values,76 this might also be the case here.…”

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confidence: 50%

Interplay between Electronic, Magnetic, and Transport Properties in Metal Organic–Radical Frameworks

Tymińska

Képénékian

2021

J. Phys. Chem. C

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Development of modern electronic and spintronic technologies depends in large part on the ability to design materials exhibiting switchable magnetic and electrical properties. Here, motivated by the successful demonstration of reversible redox switching of magnetic order and electrical conductivity in 2dimensional metal-organic frameworks (MOFs) based on benzoquinoid linkers, we perform hybrid density functional theory calculations to investigate this phenomenon at the atomistic level. Electronic, magnetic and charge transport properties have been systematically investigated for oxidized and reduced forms of Mn and Fe benzoquinoid frameworks (i.e., (Me 4 N) 2 [Mn 2 L 3 ], (Me 4 N) 2 [Fe 2 L 3 ] and Na 3 (Me 4 N) 2 [Mn 2 L 3 ], Na(Me 4 N) 2 [Fe 2 L 3 ], respectively with deprotonated chloranilic acid as L). We demonstrate that the experimentally observed large increase in electronic conductivity upon ligand-centered reduction in the Mn MOF (10 9 S•cm −1 ), is due to cooperative effects arising from band gap reduction and the presence of electrons with lower effective mass. Superior conductivity (by at least 3 orders of magnitude) of the redox pair of the Fe benzoquinoid framework as compared to the Mn analog stems from similar factors and, notably, a large increase in electron delocalization for the reduced Fe compound.

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“…Hence, the three observed different charge-ordered states demonstrate how the guest interactions (in this case solvent molecules) may lead to a new multiple switching system. 117…”

Section: Benzoquinone-based 2d Frameworkmentioning

confidence: 99%

Redox-active benzoquinones as challenging “non-innocent” linkers to construct 2D frameworks and nanostructures with tunable physical properties

et al. 2022

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Chameleonic layered metal–organic frameworks with variable charge-ordered states triggered by temperature and guest molecules

Abstract: A two-dimensional honeycomb layer composed of tetraoxolene-bridged iron subunits whose charge-ordered states are multiply variable via thermal treatments and solvation/desolvation is present.

Cited by 29 publications

References 50 publications

Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer

Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer

Interplay between Electronic, Magnetic, and Transport Properties in Metal Organic–Radical Frameworks

Redox-active benzoquinones as challenging “non-innocent” linkers to construct 2D frameworks and nanostructures with tunable physical properties

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