Materials with Remarkable Electronic Properties

This course provides the theoretical foundations for analyzing the microscopic origins of unusual physicochemical properties.

The course covers properties that are of critical importance due to the intensity of the research they inspire 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 with ferro-, antiferro-, or ferrimagnetic coupling.

1. Derivation of simple models for strongly correlated (Heisenberg) systems.
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, the concept of bistability). Magnetically anisotropic compounds (spin-orbit coupling), leading to 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 principles underlying remarkable electronic properties

Derive a model Hamiltonian appropriate for a physicochemical system, solve it, and interpret the solutions.

LCAO Theory, Hückel

Final Written Exam

This course provides the theoretical foundations for analyzing the microscopic origins of unusual physicochemical properties.

The course covers properties that are of critical importance due to the intensity of the research they inspire 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 with ferro-, antiferro-, or ferrimagnetic coupling.

1. Derivation of simple models for strongly correlated (Heisenberg) systems.
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, the concept of bistability). Magnetically anisotropic compounds (spin-orbit coupling), leading to 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 in Chemistry Office

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