Materials with remarkable electronic properties

This course provides the theoretical basis for analyzing the microscopic origin of unusual physicochemical properties.

Crucial properties are addressed due to the intensity of research they generate and their technological applications: electron transfer, magnetism, photomagnetism, bistability, conduction, etc. 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, magnetic molecules, and poly-metallic complexes coupled ferro-, antiferro- or ferrimagnetically.

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: spin transition compounds (crystal field and ligand field theories, concept of bistability). 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 (ferromagnetic and antiferromagnetic couplings), photomagnetism.

Hourly volumes:

CM: 24

TP: 8

Understanding the physical foundations behind remarkable electronic properties

Establish a Hamiltonian model adapted to a physicochemical system, solve it, and interpret the solutions.

LCAO theory, Hückel

Written terminal exam

This course provides the theoretical basis for analyzing the microscopic origin of unusual physicochemical properties.

Crucial properties are addressed due to the intensity of research they generate and their technological applications: electron transfer, magnetism, photomagnetism, bistability, conduction, etc. 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, magnetic molecules, and poly-metallic complexes coupled ferro-, antiferro- or ferrimagnetically.

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: spin transition compounds (crystal field and ligand field theories, concept of bistability). 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 (ferromagnetic and antiferromagnetic couplings), photomagnetism.

Administrative contact(s):

Master's Program in Chemistry Secretariat

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