A5064047005- Magnetism in coordination complexes
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Magnetic properties of thin films
- Lanthanide and Transition Metal Complexes
- Organic and Molecular Conductors Research
- Advanced NMR Techniques and Applications
- Metal-Organic Frameworks: Synthesis and Applications
- Metal complexes synthesis and properties
- Molecular Junctions and Nanostructures
- Electron Spin Resonance Studies
- Theoretical and Computational Physics
- Solid-state spectroscopy and crystallography
Université de Versailles Saint-Quentin-en-Yvelines
2021-2024
Groupe d’Étude de la Matière Condensée
2022-2024
Université Paris-Saclay
2021-2024
Centre National de la Recherche Scientifique
2021-2024
Abstract We investigate the static properties of a new class 1D Ising‐like Hamiltonian for binuclear spin‐crossover materials accounting two‐, three‐, and four‐body short‐range interactions between units spins . The following 2‐, 3‐, 4‐body , terms are considered, in addition to intra‐binuclear interactions, such as effective ligand‐field energy exchange‐like coupling. An exact treatment is carried out within frame transfer matrix method, leading 4×4 from which, we obtained thermal evolution...
A three-dimensional version of the electroelastic model allowing description spin-crossover (SCO) materials taking into account for volume change at transition between LS and HS spin states is developed. The investigations are realized on a rectangular parallelepiped lattice with cubic symmetry. SCO units modeled by two-states fictitious spins coupled springs whose equilibrium distances depend states. We implemented massive parallel simulations using CUDA (Compute Unified Device...
The jungle of experimental behaviors spin-crossover materials contains a tremendous number unexpected behaviors, among which, the unsymmetrical hysteresis loops having different shapes on heating and cooling, that we often encounter in literature. Excluding an extra effect crystallographic phase transitions, study here these phenomena from point view elastic modeling demonstrate simple model accounting for bond lengths misfits between high-spin low-spin states is sufficient to describe...
3D porous coordination polymers [Fe(bpb)2dca]ClO4·0.5CH3OH·Guest (bpb = 1,4-bis(4-pyridyl)benzene; Guest chloroform or dichloromethane) (1·3CHCl3 and 1·2.5CH2Cl2, 1 [Fe(bpb)2dca]ClO4·0.5CH3OH) were synthesized characterized by single-crystal X-ray diffraction, thermogravimetric, magnetic, optical, calorimetric measurements. The polymer 1·3CHCl3 displays upon cooling an incomplete one-step transition centered at T1/2 ∼ 85 K according to SQUID however, a two-step spin crossover behavior...
A porous 3D FeII coordination polymer made of 4,4′-bipyridine ligands (bipy) and [N(CN)2]− (dca) organic bridges, [Fe(bipy)2dca]ClO4·CHCl3·CH3OH (1·CHCl3·CH3OH), has been synthesized as single crystals, by a slow diffusion technique at room temperature. Single-crystal X-ray diffraction analysis shown that the structure 1·CHCl3·CH3OH presents large volume values porosity (1790 Å3 per iron atom). It crystallizes in orthorhombic Cmc21 space group but undergoes phase transition to Cmca 298 K,...
Preferred orientations of the macroscopic high-spin (HS) low-spin (LS) interfaces appearing in spin transition molecular crystals during their phase transitions are explained through study a generalized 3D version electroelastic model accounting for an anisotropic change lattice parameters, $a, b$, and $c$ at transition. The investigations performed 0 K by analyzing energy landscape made two HS LS phases, separated tilted interface with variable orientation, $\ensuremath{\theta}$ as function...
A new 3D Fe II spin crossover porous coordination polymer, [Fe( tpe ) 2 dca]ClO 4 ·5CHCl 3 ·3CH OH which accommodates guest molecules in its cavities to modulate magnetic and optical properties, was prepared investigated detail.