M2 Molecular Chemistry and Interfaces

Aitken David, UP-Sud, CNRS - ICMMO Bourissou Didier, Université de Toulouse III, CNRS HannedoucheJérôme, CNRS - ICMMO Nay Bastien, CNRS - Ecole polytechnique.

The module consists of three main courses and one project. Each course will include lectures (L), where fundamental concepts will be taught and more advanced aspects of each topic will be gradually presented; and tutorial sessions (T) for the students to exercise their knowledge by solving a number of sample problems. The sessions will be organised as follows: “Photochemical Organic Reactions”: 13 h (10 L + 3 T), “Main-Group Chemistry: P, B, Si, S”: 13.5 h (11 L + 2.5 T). “Asymmetric Synthesis”: 13.5 h (11 L + 2.5 T). A one-hour exam will be taken at the end of each course. Concerning the project “Retrosynthesis and synthetic planning: practice in total synthesis”, an introduction on retrosynthetic analysis will first be given (2 h). Then, examples of application will be proposed and discussed, the students having to work by themselves. Finally, an exam will be taken (1 ECTS), which will consist of a short written proposal (retrosynthesis + synthetic scheme in the forward direction) relative to a given target, and an oral defence.

This module focuses on several advanced methods and topics in modern organic chemistry, which will be introduced and developed along the following three courses: 'Photochemical Organic Reactions', 'Main-Group Chemistry: P, B, Si, S'; and 'Asymmetric Synthesis'. After a careful presentation of general concepts, various important applications of photochemical reactions, asymmetric methods (including catalytic processes) and synthetic methods based on the chemistry of main-group elements of the p-block (mainly B, Si, P, S) will be reviewed, predominantly in organic synthesis, with occasional illustrations in organometallic chemistry. A significant part of the module will cover recent developments and trends.
The main goal of this module is to extend the Master students' knowledge and expertise in synthetic chemistry, by the introduction and illustration of new advanced concepts and powerful methods in the fields of asymmetric synthesis, catalysis, photochemistry and the use of main-group elements of the p-block. It is expected that with this training, they will be able to analyse synthetic schemes that are based on these methods, as well as to design relevant synthetic strategies for the efficient preparation of target molecules that are difficult to access by other pathways.

Connaissances de base en chimie organique.

Main courses: - R. E. Gawley, J. Aubé, Principles of Asymmetric Synthesis, 2nd Edition, 2012, Elsevier. - K. Mikami, M. Lautens, New Frontiers in Asymmetric Catalysis, 2007, Wiley. - Recent advances in the synthesis of cyclobutanes by olefin [2+2] photocycloaddition reactions. S. Poplata et al, Chem. Rev. 2016, 116, 9748. - Photochemical reactions as key steps in natural product synthesis. T. Bach et al, Angew. Chem. Int. Ed. 2011, 50, 1000. - Photochemical reactions as key steps in organic synthesis. N. Hoffmann, Chem. Rev. 2008, 108, 1052. - N. Rabasso, Chimie organique 2. Hétéroéléments

Septembre - Octobre - Novembre.

PALAISEAU

FrédéricAvenierMCF32UP-Sud, CNRS - ICMMO Pierre-YvesRenardPR32Université de Rouen, CNRS - COBRA Boris VauzeillesDRCNRS - ICSN JoanneXiePR32ENS Paris-Saclay, CNRS-PPSM.

The module is divided into 4 courses: Bioinorganic chemistry (metalloproteins, electron transfer, redox system, cytochromes P450), Chemical biology (bioconjugation, bioorthogonal chemistry, in vivo modification, reactive probes), Photocontrol of biological processes (caged compounds, photopharmacology), and Biopolymers (AND, proteins). Based on recent literature, the courses will focus on the basic concepts of these rapidly developing fields so as to acquire knowledge of some of the fundamental tools and concepts of chemical biology, biopolymers modification; understanding the advantages of using light to control the biological system, how to design a (pro)fluorescent probe to detect a given biological process and. These tools and concepts will be illustrated by the analysis of recent publications. The final grade is based on written examine of 4 courses, “chemical biology” and “biopolymers” courses will give a unique exam based on the analysis of a recent publication in the domain.

This module focuses on the interfaces between chemistry and biology, mainly through the following four courses: bioinorganic chemistry, chemical biology, biopolymers and photocontrol of biological processes. Metalloproteins, electron transfer systems and oxygen transportation/activation, and the study of their chemical mimics will be described. After introduction to biopolymers and their main chemical properties, bioconjugation and bioorthogonal chemistry will be presented with cases studies in in vivo protein fluorescent labeling and target identification, as well as enzymatic activity detection. Caged compounds and photoswitchable bioactive molecules, the rapidly developing field, will also be introduced with cases studies on examples and study of research articles on the caged (bio)molecules and photopharmacology.

Basic knowledge in synthetic organic chemistry.

Maurice Goeldner, Richard Givens, Dynamic Studies in Biology: Phototriggers, Photoswitches and Caged Biomolecules, 2005, Wiley-VCH; ISBN-10: 3527307834

Dieter Rehder, Bioinorganic Chemistry: an Introduction, 2014, Oxford Press, ISBN: 9780199655199

Greg T. Hermanson : Bioconjugate technics, 2013, ISBN 978-0-12-382239-0.

Novembre - Décembre - Janvier.

GIF-SUR-YVETTE - PALAISEAU

Basics in absorption spectroscopy, electrochemistry, photophysics, quantum chemistry.

The module aims at giving an overview of application of molecular chemistry in the field of optoelectronic devices. The module is divided into three sections :
1- Conducting molecular materials,
2- From molecules to optoelectronic devices,
3- Switchable molecular materials.

Basics in absorption spectroscopy, electrochemistry, photophysics, quantum chemistry.

Septembre - Octobre - Novembre - Décembre.

ORSAY - GIF-SUR-YVETTE - PALAISEAU

A compléter.

The module is divided into 12 blocks. The first 8 blocks will be devoted to molecular mechanics. They will include both a course part, to give the Master students an overview about some of the main methods in molecular mechanics, and hands-on sessions in which research softwares will be used in order to understand how to translate a chemical problem into a modelling workflow. The last session will be dedicated to the work on a personal project. The other 4 blocks concern the quantum chemistry course. The use of methods, based on density functional theory, to describe the electronic structure of organic and organometallic chemistry and to understand their reactivity will be described. The course will be based on recent publications that students will be asked to read and comment on. The final grade will combine two scores: one from a written exam (70%) about all courses and one (30%) based on the investment in hands-on sessions and in the project.

This UE provides an introduction to molecular modelling from basic principles to applications to complex molecules. It is divided into two parts. In the first, the basics of modelling based on the laws of classical mechanics are introduced: force fields, Monte Carlo sampling and molecular dynamics. This will provide enough background to the students to understand their potential and application domains. Applications to free energy calculations and various approaches of solvation are described. Illustrations span a wide range of molecules and macromolecules in chemistry and biochemistry. The second part is devoted to the analysis of quantum chemical calculations to understand molecular properties and reactivity in molecular chemistry. Various analyses of electron density and atomic indices are introduced and their application to chemical reactivity is described.

Basic knowledge in classical Newtonian mechanics and classical thermodynamics. Basic knowledge in quantum chemistry.

Frank Jensen, Introduction to Computational Chemistry, 3rd Edition, 2017, Wiley. ISBN : 978-1-118-82599-0 Andrew R. Leach, Molecular Modelling: Principles and Applications, 2nd Edition, 2001, Pearsons. ISBN 13 : 9780582382107.

Septembre - Octobre - Novembre - Décembre.

PALAISEAU

Auffrant Audrey, CR-Ecole Polytechnique, CNRS-LCM SixYvan CR, Ecole Polytechnique, CNRS-LSO Cantat Thibault, IR, CEA, CNRS-NIMBE GosminiCorinne, DR, Ecole Polytechnique, CNRS-LCM MezaillesNicolas, DR, Université de Toulouse III, CNRS Nay Bastian, DR, Ecole Polytechnique.

Besides three main courses (for 5 ects), a litterature project teaching students how to start and solve a challenging synthetic problem will be involved. An introduction on retrosynthetic analysis will first be given, recalling Corey's and Seebach's logics and the main rules to be applied. Then, after a few examples of applications aiming at showing the diversity of approaches including organomettalic reagents, synthetic problems will be proposed, discussed and possibly debated. The students will have to work by themselves at solving these problems, with a final examination consisting in a short written proposal of the synthetic problem (retrosynthesis + total synthesis forward) and defence of this proposal (for 1 ects).

This module mainly focuses on the organometallic chemistry and its application in catalysis. The rationalization of the activation of substrates/bonds by metal complexes will be presented as well as the synthesis and reactivity of a variety of carbanionic organometallic reagents. Traditional and more recent aspect of metal based catalysis will be disclosed, with a special attention to coupling reactions catalyzed by palladium or non-noble metals: scope, mechanistic aspects, advantages and limitations will be presented. The role of advanced catalysis concerning the necessary change of paradigm in the production of major chemicals, from fossil to renewable feedstocks will be addressed.
The main goal of this module is to extend the Master students' knowledge and expertise in organometallic chemistry and its application in catalytic reactions. They will be able to analyse the reactivity of organometallic reagent, catalytic scope, mechanism, limitations and to understand the production of the major chemicals in the industry and its link to our current energy system. The final objective expected will be to have an overview of the organometallic chemistry and its applications in order to tackle challenges of modern chemistry.

Connaissances de base en chimie organique.

Septembre - Octobre - Novembre.

PALAISEAU

BouteillerLaurentPrEcole Polytechnique, Sorbonne University, IPCM BogliottiNicolasMCENS Saclay, CNRS, PPSM Nocton GregoryDREcole Polytechnique/CNRS-LCM GacoinThierryDREcole Polytechnique / PMC CarmichaelDuncanCREcole Polytechnique/CNRS-LCM.

This module focuses on the interfaces between chemistry and material sciences, mainly through the following three courses: Supramolecular Chemistry, Supramolecular Polymer Chemistry, Chemistry of hybrid organic/inorganic materials. The concepts, interactions and classes of molecules (porphyrins, macrocycles…) involved in supramolecular assemblies will be presented together with applications in the field of medecine and environmental sciences. The module will further present recent trends in the field of polymer chemistry with a particular focus on biological polymers, preparation and applications of copolymers as well as supramolecular polymers and gelators. Finally, concepts and tools for the functionalization of various hybrid organic/inorganic materials will be presented. Examples will be selected to demonstrate how these tools may allow to tune the desired properties of the material.

Basic knowledge in organic chemistry.

Novembre - Décembre - Janvier.

GIF-SUR-YVETTE - PALAISEAU

Laurent EL KAÏM, PR, ENSTA Paris GosminiCorinne,DREcole Polytechnique, CNRS-LCM SixYvan, CREcole Polytechnique, CNRS-LSO Xie Joanne, PR, ENS Paris-Saclay Miomandre Fabien, PR, ENS Paris-Saclay OhanessianGillesDRCNRS, EP - LCM GacoinThierryDREcole Polytechnique / PMC.

The examination of the literature project will be organized at the beginning of the internship, it will be the occasion of a written report and an oral presentation.

The project involves a bibliographical study on a subject associated with the research internship. The objective is to teach students how to explore and present the literature on a specific subject. It should help the students in the understanding of the goals of their research and make them more efficient.

Janvier - Février.

GIF-SUR-YVETTE - PALAISEAU

Avenier Frédéric, MCF, University Paris-Saclay Laurent EL KAÏM, PR, ENSTA Paris GosminiCorinne,DREcole Polytechnique, CNRS-LCM SixYvan, CREcole Polytechnique, CNRS-LSO Xie Joanne, PR, ENS Paris-Saclay Miomandre Fabien, PR, ENS Paris-Saclay OhanessianGillesDRCNRS, EP - LCM GacoinThierryDREcole Polytechnique / PMC.

All students will follow a 6 months research internship in a Laboratory on a topic in relation with Molecular Chemistry and its Interfaces. This laboratory may either be an academic or an industrial research laboratory in France or abroad. During this internship, the students will have to perform experimental and/or theoretical studies in order to get practical experience in a research environment in relation with the topic of his/her choice.
The main objective of this module is to give to the students their first 'long terms' practical experience in a research environment. They will learn how to manage a research project from the design of the experiments to the analysis of the results and their presentation in a final report as well as an oral presentation. This internship should prepare them to enter a PhD program in the best conditions, with new technical skills and a better knowledge of the research environment.

Being part of the MOCHI Master.

Février - Mars - Avril - Mai - Juin - Juillet.

ORSAY - GIF-SUR-YVETTE - PALAISEAU