Jahn–Teller Effect in Molecular Magnetism: An Overview

Jahn–Teller and Pseudo-Jahn–Teller Effects: From Particular Features to General Tools in Exploring Molecular and Solid State Properties

“…The theoretical background of all these effects in atomic systems emerges from the first-principles as a delicate addition to the coupling between the electronic states and nuclear displacements, which occurs beyond the adiabatic approximation (vibronic coupling). The theory of the JTE and PJTE with many of their manifestations in molecular and solid state properties are rather well studied and continues developing. − Less attention has been paid so far to the PJTE, especially to its use as a tool in the study of the structure and properties of polyatomic syst...…”

“…As in any theoretical work, mathematical proofs of the origin of the JTE and PJTE structural instabilities based on first-principles are most important, but in detail they are of primary interest to more specialized readers and deserve separate consideration. For the more significant achievements in this field, see refs , , , and − for books; refs , , , and − for major reviews; refs − for JTE conference proceedings; and refs − …”

Molecule Based Materials for Quantum Cellular Automata: A Short Overview and Challenging Problems

“…Consequently a potential barrier between the localized configurations increases the degree of localization which is favorable for the functionality of a cell to store binary information. This refers to MV systems studied in molecular magnetism, such as dimers, and mainly to the large scale MV systems, like biologically important metal clusters, iron-sulfur proteins, and polynuclear reduced polyoxometalates accommodating two or several electrons delocalized over a metal network (see review articles [27][28][29][30][31][32][33] ).…”

Modeling of Electron Transfer in a Linear Trinuclear Fe–Co–Fe Complex: Magnetic and Polarizability Properties

“…The change in the magnetic state under the action of external stimuli in the mentioned compounds manifests itself not only in the observed static magnetic characteristics such as temperature dependence of the magnetic susceptibility and field dependence of magnetization but also in the spectroscopic characteristics, thus leading to the blue or to the red shift of the positions of charge transfer bands and those arising from d–d transitions. Among the systems with labile electronic states, the most pronounced changes in the magnetic and spectroscopic characteristics under the action of external stimuli can be demonstrated by mixed valence systems, − cobalt valence-tautomeric compounds, ,, spin crossover iron­(II) compounds, iron cobalt bi- and polynuclear compounds exhibiting metal-to-metal charge transfer, − , and photochromic systems…”