Course Overview

> The objective of this course is, via the study of the chemical
bonding, to allow students to connect structure / composition and
reactivity / properties of compounds, and this for organic molecules,
transition metal complexes or solid state compounds.

> Special attention is paid to the introduction to the frontier
orbital approximation and its function in addressing the problems of
absolute and relative reactivity, regioselectivity and
stereoselectivity in organic chemistry (Woodward-Hoffman rules,
electrocyclic reactions,  sigmatropic rearrangements,etc.);
properties of transition metal complexes (Tanabe-Sugano diagrams,
Marcus law, Curie law) and  chemical bond in solids (ionic models,
band theory (orbital description of the electronic structure of
solids), etc.).

Learning Achievement

Competence

Course prerequisites

- Academic level: BSc.
- Selection criteria: basic knowledge in chemistry and/or physical
chemistry.
- Language prerequisites: English or French.

Grading Philosophy

> Assessment methods:

- Written final exam: 3 hours = 100% of the overall mark.
- The first session takes place in December.

> In case of failure, a second session is organized, either as a
written final exam or an oral presentation depending on the number of
failed students. This 2nd session takes place at the end of June.

Course schedule

_PART 1: FRONTIER ORBITALS AND ORGANIC CHEMICAL REACTIONS_

- Fundamental in quantum chemistry: molecular orbitals of conjugated
polyene systems (Hücke l theory), frontier orbitals approximation
- Cycloaddition reactions: Woodward-Hoffmann rules, activation mode
and reactivity, interactions suprafacial and antarafacial 
interactions, regioselectivity and stereoselectivity (Alder endo rule)
- Electrocyclic reactions: selection rules and activation mode,
conrotatory and disrotator y ring closing/opening, stereoselectivity 
aspects
- Sigmatropic rearrangements: selection rules (suprafacial and
antarafacial), stereo selectivity aspects
- Electrophilic, nucleophilic and radical reactions
- Structural problems: stable conformation, hyperconjugation

_PART 2: MOLECULAR INORGANIC CHEMISTRY_

- Electronic structure of complexes. General information on
d-elements. d-orbitals. Crystal field theory. Tanabe-Sugano diagrams.
Charge transfer transitions. Application: spin crossover phenomena.
- Stability and reactivity of complexes. Stability of a complex:
thermodynamic and kinetic aspects.
- Modification of chemical properties of the metal and the ligand in
a complex. Electron transfer. Marcus law.
- From molecules to molecular materials. Synthesis of polynuclear
compounds. Molecular magnetism. Illustration with mono- and dinuclear
compounds.

_PART 3: CHEMICAL BOND IN SOLIDS_

- Introduction: classification for solids; electrons in solids.
- Ionic model: crystal energy, Madelung potentials, energy levels
(Koopmans theorem), structure of ionic solids (Pauling rules, Brown
method)
- Chemical bond and energy levels in simple metals and transition
metals
- Band theory: orbital description of the electronic structure in
solids.

> Electronic structure of 1D compounds, dimers and n-mers formation
(Peirls distorsion), Electronic structure of 2D and 3D compounds.

> Examples of transition metal oxides: electronic structure and
electric properties.

Course type

- Lectures (in French or English): 24 x 1 hour and 20 minutes. - Exercise sessions (in French or English): 14 x 1 hour and 20 minutes. - All lectures and exercises sessions can be followed either in English or in French, depending on the choice of the student. - Teaching supports available on the Moodle platform.

Online Course Requirement

Instructor

Other information

Selection procedure: evaluation of the students CV.Duration: 8 weeks

Language of instruction: French and English
Mode of delivery: Face-to-face teaching

Site for Inquiry