Chemical Bond University of Bordeaux
> The objective of this course is, via the study of the chemicalbonding, to allow students to connect structure / composition andreactivity / properties of compounds, and this for organic molecules,transition metal complexes or solid state compounds. > Special attention is paid to the introduction to the frontierorbital approximation and its function in addressing the problems ofabsolute and relative reactivity, regioselectivity andstereoselectivity 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 ofsolids), etc.).
- Academic level: BSc. - Selection criteria: basic knowledge in chemistry and/or physicalchemistry. - Language prerequisites: English or French.
> 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 awritten final exam or an oral presentation depending on the number offailed students. This 2nd session takes place at the end of June.
_PART 1: FRONTIER ORBITALS AND ORGANIC CHEMICAL REACTIONS_ - Fundamental in quantum chemistry: molecular orbitals of conjugatedpolyene systems (Hücke l theory), frontier orbitals approximation - Cycloaddition reactions: Woodward-Hoffmann rules, activation modeand 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 andantarafacial), stereo selectivity aspects - Electrophilic, nucleophilic and radical reactions - Structural problems: stable conformation, hyperconjugation_PART 2: MOLECULAR INORGANIC CHEMISTRY_ - Electronic structure of complexes. General information ond-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 ina complex. Electron transfer. Marcus law. - From molecules to molecular materials. Synthesis of polynuclearcompounds. Molecular magnetism. Illustration with mono- and dinuclearcompounds._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, Brownmethod) - Chemical bond and energy levels in simple metals and transitionmetals - Band theory: orbital description of the electronic structure insolids.> 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 andelectric properties.
- 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
Selection procedure: evaluation of the students CV.Duration: 8 weeksLanguage of instruction: French and EnglishMode of delivery: Face-to-face teaching
Site for Inquiry
Please inquire about the courses at the address below.
Contact person: Cédric Desplanches firstname.lastname@example.org Corinne Jalibertcorinne.email@example.com