Materials with outstanding electronic properties

This course provides the theoretical basis for analyzing the microscopic origin of unusual physico-chemical properties.

The focus is on properties that are crucial in terms of the intensity of the research they generate and their technological applications: electron transfer, magnetism, photomagnetism, bistability, conduction, and so on. Several types of compounds will be studied: molecular switches, mono- and multi-radical aromatic molecules and strategies for assembling ordered high-spin organic structures, spin-transition compounds, magnet molecules, ferro-, antiferro- or ferrimagnetically-coupled poly-metallic complexes.

1. Derivation of simple models for highly correlated systems (Heisenberg).
2. Hydrocarbon compounds: aromaticity and magnetic properties of polyradical cyclic and polycyclic systems.
3. Monometallic complexes: spin-transition compounds (crystal field and ligand field theories, bistability concept). Magnetically anisotropic compounds (spin-orbit coupling), towards molecular magnets (hysteresis)...
4. Bimetallic complexes: electron transfer (molecular switches) in mixed-valence compounds and spin exchange in magnetic compounds (ferro- and antiferromagnetic couplings), photomagnetism.

Hourly volumes* :

CM: 24

TP: 8

Understand the physics behind remarkable electronic properties

Establish a model Hamiltonian adapted to a physico-chemical system, solve it and interpret the solutions.

LCAO theory, Hückel

Written final examination

This course provides the theoretical basis for analyzing the microscopic origin of unusual physico-chemical properties.

The focus is on properties that are crucial in terms of the intensity of the research they generate and their technological applications: electron transfer, magnetism, photomagnetism, bistability, conduction, and so on. Several types of compounds will be studied: molecular switches, mono- and multi-radical aromatic molecules and strategies for assembling ordered high-spin organic structures, spin-transition compounds, magnet molecules, ferro-, antiferro- or ferrimagnetically-coupled poly-metallic complexes.

1. Derivation of simple models for highly correlated systems (Heisenberg).
2. Hydrocarbon compounds: aromaticity and magnetic properties of polyradical cyclic and polycyclic systems.
3. Monometallic complexes: spin-transition compounds (crystal field and ligand field theories, bistability concept). Magnetically anisotropic compounds (spin-orbit coupling), towards molecular magnets (hysteresis)...
4. Bimetallic complexes: electron transfer (molecular switches) in mixed-valence compounds and spin exchange in magnetic compounds (ferro- and antiferromagnetic couplings), photomagnetism.

Administrative contact(s) :

Secretariat Master Chemistry

https://master-chimie.edu.umontpellier.fr/