Materials with remarkable electronic properties

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

The properties that are crucial because of the intensity of the research they generate and their technological applications are addressed: electronic transfer, magnetism, photomagnetism, bistability, conduction, etc. Several types of compounds will be studied: molecular switches, mono- and multi-radical aromatic molecules and assembly strategy of ordered organic structures with high spin, spin transition compounds, magnet molecules, ferro-, antiferro- or ferrimagnetically coupled poly-metallic complexes.

1. Derivation of simple models for strongly correlated systems (Heisenberg).
2. Hydrocarbon compounds: aromaticity and magnetic properties of cyclic and polycyclic polyradical systems.
3. Monometallic complexes: compounds with spin transition (crystal field and ligand field theories, bistability concept). Magnetically anisotropic compounds (spin-orbit coupling), towards molecular magnets (hysteresis)...
4. Bimetallic complexes: electronic 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 physical basis for remarkable electronic properties

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

LCAO theory, Hückel

Written final test

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

The properties that are crucial because of the intensity of the research they generate and their technological applications are addressed: electronic transfer, magnetism, photomagnetism, bistability, conduction, etc. Several types of compounds will be studied: molecular switches, mono- and multi-radical aromatic molecules and assembly strategy of ordered organic structures with high spin, spin transition compounds, magnet molecules, ferro-, antiferro- or ferrimagnetically coupled poly-metallic complexes.

1. Derivation of simple models for strongly correlated systems (Heisenberg).
2. Hydrocarbon compounds: aromaticity and magnetic properties of cyclic and polycyclic polyradical systems.
3. Monometallic complexes: compounds with spin transition (crystal field and ligand field theories, bistability concept). Magnetically anisotropic compounds (spin-orbit coupling), towards molecular magnets (hysteresis)...
4. Bimetallic complexes: electronic 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/