| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Overgaard, Jacob
Aarhus University
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (18/18 displayed)
- 2023Electron Density Analysis of Metal-Metal Bonding in a Ni 4 Cluster Featuring Ferromagnetic Exchangecitations
- 2023Electron density analysis of metal-metal bonding in a Ni4 cluster featuring ferromagnetic exchangecitations
- 2020Chemical bonding in colossal thermopower FeSb2citations
- 2020High-Pressure Crystallographic and Magnetic Studies of Pseudo-D5h Symmetric Dy(III) and Ho(III) Single-Molecule Magnetscitations
- 2020Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complexcitations
- 2019Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexescitations
- 2018Determination of d-Orbital Populations in a Cobalt(II) Single-Molecule Magnet Using Single-Crystal X-ray Diffractioncitations
- 2017Crystal structure across the β to α phase transition in thermoelectric Cu2−xSecitations
- 2016Anisotropic compressibility of the coordination polymer emim[Mn(btc)]citations
- 2016Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxidecitations
- 2014$mathrm{(NH_{4})_{4}Sn_{2}S_{6}·3H_{2}O}$: Crystal Structure, Thermal Decomposition, and Precursor for Textured Thin Filmcitations
- 2014Alkali Metal Ion Templated Transition Metal Formate Framework Materialscitations
- 2014Alkali Metal Ion Templated Transition Metal Formate Framework Materials:Synthesis, Crystal Structures, Ion Migration, and Magnetismcitations
- 2014Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cdcitations
- 2013Pressure versus temperature effects on intramolecular electron transfer in mixed-valence complexescitations
- 2012Charge density study of two FeS2 polymorphs
- 2012Charge density study of two FeS2 polymorphs:Experimental charge density study of two FeS2 structures
- 2009Experimental charge density in an oxidized trinuclear iron complex using 15 K synchrotron and 100 K conventional single-crystal X-ray diffractioncitations
Places of action
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article
Pressure versus temperature effects on intramolecular electron transfer in mixed-valence complexes
Abstract
Mixed-valence trinuclear carboxylates, [M 3 O(O 2 CR) 6 L 3 ] (M=metal, L=terminal ligand), have small differences in potential energy between the configurations M II M III M III ⇔ M III M II M III ⇔M III M III M II , which means that small external changes can have large structural effects, owing to the differences in coordination geometry between M 2+ and M 3+ sites (e.g., about 0.2 Å for Fe-O bond lengths). It is well-established that the electron transfer (ET) between the metal sites in these mixed-valence molecules is strongly dependent on temperature and on the specific crystal environment; however, herein, for the first time, we examine the effect of pressure on the electron transfer. Based on single-crystal X-ray diffraction data that were measured at 15, 90, 100, 110, 130, 160, and 298 K on three different crystals, we first unexpectedly found that our batch of Fe 3 O (O 2 CC(CH 3 ) 3 ) 6 (C 5 H 5 N) 3 (1) exhibited a different temperature dependence of the ET process than previous studies of compound 1 have shown. We observed a phase transition at around 130 K that was related to complete valence trapping and Hirshfeld surface analysis revealed that this phase transition was governed by a subtle competition between C-H⋯pi; and π⋯pi; intermolecular interactions. Subsequent high-pressure single-crystal X-ray diffraction at pressures of 0.15, 0.35, 0.45, 0.74, and 0.96 GPa revealed that it was not possible to trigger the phase transition (i.e., valence trapping) by a reduction of the unit-cell volume, owing to this external pressure. We conclude that modulation of the ET process requires anisotropic changes in the intermolecular interactions, which occur when various directional chemical bonds are affected differently by changes in temperature, but not by the application of pressure.