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Teaching coordinator :

Eric CLOT
  

Teaching staff :
Gilles FRISON

Level : UnderGraduate

Course Language : French

Term : Fall

Number of hours : 32

ECTS Credits : 5
CHI411 Introduction to Molecular Chemistry
Teaching site :


This course introduces basic theoretical foundations enabling the description of structure and the reactivity of organic molecules. The ambition of this course is to demonstrate that through a simple/basic/mere theoretical approach, which is the theory of molecular orbitals, it is possible to explain the preferential geometry of molecules as well as the nature of their undergone transformations whenever they are in contact with reactants of all kinds.

The aim of this course is to provide students with a little education in chemistry with the necessary basis in order to comprehend the reactions studied in organic chemistry as well as to get acquainted with the common vocabulary used to describe these transformations. By the end of this short-term module, students must either have acquired sufficient knowledge that will enable them to follow the long-term modules in chemistry (CHI431, CHI441 and CHI451) or to be comfortable with the chemical aspects of biology teaching.

To do this, the course is divided into seven chapters whose contents are briefly listed below.

Chapter 1: Electronic structure of atoms
1. Quantum description of matter
2. Concept of atomic orbital : the hydrogen atom
3. Polyelectronic atoms : filling up principles
4. Properties of elements and their trends in the periodic table

Chapter 2: Electronic structure of molecules
1. Recollection of Lewis Structure of molecules
2. Molecular geometry : VSEPR Method
3. Born-Oppenheimer approximation
4. Concept of molecular orbital : LCAO method
5. Principle of a MO diagram construction
6. Example applications

Chapter 3: Functional Groups in Organic Chemistry
1. Functions of organic chemistry
2. Various types of isomerisms
3. Conformational Analysis
4. Electronic influence of substitute : inductive effects, mesomerism, hyperconjugation

Chapter 4: Notions of reaction mechanisms
1. Concept of a Potential Energy Surface
2. Transition state theory
3. Nucleophilic substitution reactions
4. Electrophilic substitution reactions
5. Nucleophilic addition reactions

Chapter 5: Orbital approach of reactivity
1. Frontier orbital theory
2. Charge vs. orbital control
3. Basicity vs. Nucleophilicity
4. Example applications

Chapter 6: Combined Systems
1. Hückel Method
2. Coulson formulas
3. Aromaticity
4. Luminescence

Chapter 7: Pericyclic reactions
1. Electrocyclisations
2. Cycloadditions
3. Selectivity control
4. Catalyst influence

Bibliographic references:
  • Introduction à la chimie moléculaire by Eric Clot (2011).
  • Structure électronique des molécules : de l'atome aux molécules simples by Y. Jean et F. Volatron.
  • Structure électronique des molécules : géométrie, réactivité et méthode de Hückel by Y. Jean et F. Volatron
  • Frontier orbitals and organic chemical reactions by Ian Fleming

    Requirements : There's no prerequisite for this course which is designed only for students with a little background in Chemistry; it can be useful to attend CHI431, CHI441 or CHI451. Students with a strong background in Physics and Chemistry are not allowed to follow this course.

    Last Modification : Thursday 13 March 2014

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