Advances in Magnetostructural Correlation

Dear Colleagues,

In the field of molecular magnetism, magneto-structural correlations (the relationship between molecular structure and magnetic properties) have been used to rationally design molecules with desirable magnetic properties, and further to relate these properties to the electronic and geometric structures. In turn, such studies require a good description of the electronic properties of X-ray well-resolved transition metal-based complexes, including f-element systems of lanthanides (4f) and actinides (5f), as well as the mixed 3d-4f/5f polymetallic complexes. Over the past several decades, tremendous efforts have been invested into understanding the origin of their magnetic properties, which depend mainly on metal coordination between environment and geometry. Numerous studies revealed an unusually strong sensitivity of the molecular magnetic properties to tiny changes in the structure. Indeed, such studies reveal a strong dependence of the axial anisotropy, 2D, the zero-field-splitting, and the exchange coupling nature (sign) between spin carriers on bonding and/or torsion angles in the cluster. It is important to understand magneto-structural correlations due to its critical role toward understanding important catalytic processes, magnetic cooling materials, photophysical changes, and the notably high spin molecules which can behave as single-molecule magnets (SMM).

Notably, magneto-structural correlations studies have attracted a great deal of interest from the synthetic arena of coordination chemistry. This had led to the development of magnetically coupled spin carriers, such as paramagnetic metal ions or open-shell organic ligands. Of particular interest are the bridged metal transition or mixed 3d-4f and 3d-5f polymetallic spin carriers, and the super-exchanges between them are critical for magnetic properties. Moreover, combining experimental techniques with quantum chemistry based on DFT and ab initio methods has added impetus, enabling the molecule-scale SMM to become the next-generation high-density information storage medium.

This Special Issue aims to publish a collection of forefront research articles that will shine a spotlight on the latest achievements in magneto-structural correlations studies, desiring to better explain the fundamentals aspects with new contributions from synthetic chemists, theoreticians, physicists, spectroscopists or materials scientists. A collaborative magnetochemistry field, characterized by increased computing capacities, will allow new improvements in experimental ways of designing magnetostructural systems. This, in turn, will exert a profound impact on the development of this promising field. We hope to offer opportunities for colleagues to submit, original research articles that fit into one of the topics listed below or more.

• Magneto-structural correlations in spin-crossover compounds
• Influence of ligand bridging modes on the mediated magnetic coupling
• Geometrically frustrated molecular magnetic materials
• Single-Molecule Magnets
• Magneto-structural correlations in exchange coupled systems; monomeric, dimeric and polymeric
• Magneto-structural correlations in bioinorganic chemistry
• Combined experimental and theoretical exploration

Prof. Dr. Belkhiri Lotfi
Guest Editor

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• magneto-structural correlations
• coordination chemistry
• exchange coupling
• single-molecule magnets