| 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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Timco, Grigore A.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (12/12 displayed)
- 2024Two‐ and Three‐Spin Hybrid Inorganic‐Organic [2]Rotaxanes Containing Metallated Salen Groups
- 2020Heterometallic 3d-4f complexes as air-stable molecular pre-cursors in low temperature syntheses of stoichiometric rare-earth orthoferrite powderscitations
- 2018The synthesis of a monodisperse quaternary ferrite (FeCoCrO4) from the hot injection thermolysis of the single source precursor [CrCoFeO(O2C: TBu)6(HO2CtBu)3]citations
- 2018The synthesis of a monodisperse quaternary ferrite (FeCoCrO 4 ) from the hot injection thermolysis of the single source precursor [CrCoFeO(O 2 C : T Bu) 6 (HO 2 C t Bu) 3 ]citations
- 2017Portraying entanglement between molecular qubits with four-dimensional inelastic neutron scatteringcitations
- 2014A one-pot synthesis of monodispersed iron cobalt oxide and iron manganese oxide nanoparticles from bimetallic pivalate clusterscitations
- 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
- 2013Synthesis of monodispersed magnetite nanoparticles from iron pivalate clusterscitations
- 2009Functional chromium wheel-based hybrid organic - Inorganic materials for dielectric applicationscitations
- 2009Experimental charge density in an oxidized trinuclear iron complex using 15 K synchrotron and 100 K conventional single-crystal X-ray diffractioncitations
- 2007Isolated heterometallic Cr7Ni rings grafted on Au(111) surfacecitations
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article
Experimental charge density in an oxidized trinuclear iron complex using 15 K synchrotron and 100 K conventional single-crystal X-ray diffraction
Abstract
The experimental electron density distribution in a crystal consisting of the simplest conceivable trinuclear carboxylate-bridged iron-μ 3 - oxo dianion with two α-picolinium cations has been determined using both synchrotron (15 K) and conventional (100 K) X-ray diffraction data. The constituent trinuclear oxo-centered molecule consists of six μ 2 -bridging formate groups between the iron pairs, while the axial ligand for all iron atoms is another formate group. The compound {[Fe 3 O(HCOO) 6 (HCOO) 3 ] 2- ·H 2 O·2(α-CH 3 NC 5 H 5 ) + }, (1) crystallizes in the monoclinic space group P2 1 /m with charge assisted hydrogen bonds linking the α-picolinium cations to the trinuclear groups. The chemical bonding in the weakly asymmetric Fe 3 O-core of 1 has been examined through the use of the quantum theory of atoms in molecules, and in combination with experimental d-orbital populations, a significant electron sharing is observed between the Fe atoms and the central oxygen. The central oxygen exhibits clear sp 2 hybridization, and the iron atoms have valence shell charge concentrations in all metal-ligand bond directions. The relative bond strengths are evaluated based upon the charge density distribution and found to be in accordance with the geometrical results. Integrated group charges follow expectations from formal chemical valences.