Inspecthe 2018 | Arcane - Université Grenoble Alpes

Training school: Spectroscopic Techniques & Theoretical Chemistry: complementary approaches applied to bio-inspired inorganic chemistry

This research school was organized by the CNRS and was held in Autrans (Isère) from sunday november 25 to friday november 30, 2018

Combining spectroscopic techniques to theoretical calculations is a particularly attractive process for the study of transition metal complexes. These complementary approaches allow the determination of structural, electronic, redox properties of metal complexes as well as the study of their reactivity (characterization of reactive intermediates). Theoretical calculations are particularly helpful for the analysis of experimental data, for the identification of transient reaction intermediates, and for the elucidation of mechanisms based on experimental data. Transition metal complexes from either biological or chemical origins are implied in many applications ranging from biology, catalysis, health & environnement, ...
In the recent years, some spectacular breakthroughs gave access to advanced techniques with remarkable potentials and to applications of these characterization techniques.

This CNRS research school, taught in english language, was dedicated to the training of young researchers to these techniques as well as some recent calculation methods and to strenghten the knowledge of older ones. Full-day course sessions were held at the Escandille center in Autrans, and 3 half days were dedicated to practical trainings in the Grenoble laboratories. Two poster sessions were held. On the last half day, the participants went to the great scientific instruments based in Grenoble.

Here is a detailed program:

Introduction to ligand field theory
Introduction to theoretical calculations
Basic principles in EPR spectroscopy
Basic principles in NMR (solid/liquid states), paramagnetic NMR
Basic principles in DNP
Mössbauer Spectroscopy
Calculations of spectroscopic parameters
Electronic spectroscopies (UV-vis, fluorescence, luminescence)
X-ray absorption and emission spectroscopies
Introduction to TD-DFT
Introduction to molecular modeling approaches to reactivity