Course Overview

The course is divided into three classes CT3 (Theoretical Chemistry
3), CA (Analytical Chemistry) and CSC3 (Mathematical &
PhysicalTools). 

CT3 allows for the in-depth study of the molecular orbital model, with
different approximation levels, for polyatomic systems (Hückel theory
and application to p-conjugated systems, spectroscopy and reactivity).
Applications to the determination of molecular structures and reaction
pathways are also proposed.CA focuses on the description of several
optical spectroscopy techniques useful in analytical chemistry, namely
absorption and emission atomic and molecular electronic
spectroscopies, as well asinfrared absorption vibrational molecular
spectroscopy. A special emphasis is given to the explanation of the
different light-matter interaction mechanisms and different
applications of these techniques in analytical chemistry. 

CSC3 provides mathematical and physical tools useful for the
representation and the understanding of physicochemical phenomena. It
focuses on integral calculation (simple, double or triple integral)
in the spherical coordinate system to take up problems about molecular
orbital overlap integrals and a few problems in molecular
spectroscopy. Statistical tools relevant to take up the notions of
Brownian motion and probability for atomistics andchemical
thermodynamics are also presented.

Learning Achievement

Competence

Course prerequisites

High-school diploma

Grading Philosophy

CONTINUOUS ASSESSMENT (40% OF OVERALL MARK) 
- CT3 Homework, 16.67% of overall mark  - CA remote exam – 45 min,
10% of overall mark  - CSC3 remote exam – 1h00, 13.33% of overall
mark FINAL ASSESSMENT (60% OF OVERALL MARK) 

- CT3 exam - 1h00, 25 % of overall mark - CA exam- 1h00, 15% of
overall mark  - CSC3 exam – 1h00, 20% of overall mark The first
session takes place in April. 

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

Course schedule

CT3 
- Wave functions for electrons in molecules: from orbitals to
configurations  - Semi-empirical description for valence electrons:
LCAO approximation and population analysis  - Electrons in
molecules: reactivity and spectroscopy  CA 

- Emission and absorption atomic spectroscopies  - Infrared
absorption vibrational molecular spectroscopy (intransmission and
reflection)  - Emission and absorption electronic molecular
spectroscopies (UV-visible absorption and fluorescence)  CSC3 

- Integral Calculus  - Probability and applications to physics and
chemistry

Course type

- Lectures (17 x 1h20)  - Tutorials (21 x 1h20)

Online Course Requirement

Instructor

Other information

Please note that the number of places available may be limited for
certain classesDuration: 14 weeks

Language of instruction: English
Mode of delivery: In-class

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