M1 Chemistry - International Track

Elementary Linear Algebra, and Undergraduate Physical Chemistry

Content

Chapter 1: Fundamental concepts

• Domain of quantum mechanics : “microscopic word”
• Properties of electromagnetic waves
• Wave-particle duality : de Broglie’s wave for a free particle
• Double slit experiment
• Wave function,
• Time dependent and time independent Schrödinger equations
• Superposition of states
• Postulates of quantum mechanics

Chapter 2: Quantization

• Quantization in an infinite well (1D, 2D and 3D)
• Tunnelling effects
• Finite 1D well
• Double well

Chapter 3: Molecular vibrations

• Born-Oppenheimer approximation
• Separation of the center of mass in a two-body problem
• Harmonic oscillators
• Vibration of a diatomic molecules
• Vibrational normal modes
• Franck-Condon principle

Chapter 4: Rotations and Hydrogenic atoms

• Particle on a sphere
• Rigid diatomic rotor
• Angular

Chapter 5: Electronic structure of molecules and nanoparticles

• Molecular Hamiltonian
• Born-Oppenheimer approximation
• Linear combination of atomic orbitals
• Orthogonal and nonorthogonal basis sets, minimal basis set
• Molecule orbitals : sigma/pi, overlap
• Molecular orbital energies, Koopman theorem
• HOMO-LUMO gap
• Mulliken charge, ionisation energy, electronegativity, electron affinity
• Molecular Orbital diagram, Walsh correlation diagram
• Extended Hückel Theory
• Introduction to Tight-Binding Density Functional Theory

Aims

The course introduces the fundamentals of quantum mechanics and applies the timedependent and time independent Schrödinger equations to analytically solvable systems. The free electron confined in a box potential, the hydrogen atom, the rotational and vibrational motions of diatomic molecules are treated in detail. Important concepts related to electronic structure are introduced. Approximate methods such as extended Hückel theory and tight-binding density functional theory are applied to study the structure and reactivity of molecules and nanoparticles.

Theoretical courses, tutorials and practicals.

Atomistics.
Knowledge on the fundamental reactions on the following topics:
Alkanes, Alkenes, Alkynes and aromatics, Haloganated compounds, alcohols, aldehydes and ketones

Content

• Part I: inorganic chemistry: Definition of metal complexes, d orbitals description, crystal field theory, Molecular orbitals theory,  Angular Overlap Model. Important  parameters affecting the d block. Basics on reactivity.
• Part II: organic chemistry: Structure and reactivity of aromatic compounds, Reactivities of carbonyls, carboxyls, amines and phosphorus compounds.

Aims

Transition metal complexes are at the heart of all biological processes that support life and are crucial in the development of new technologies for a sustainable world. Research in this field spans from synthesis, spectroscopic characterization, electronic description, surface science, electrochemical and photochemical processes. This course aims at providing the students with a solid basis in coordination chemistry and related areas with the defining goals to address energetic and environmental challenges facing our societies.

Theoretical courses, tutorials and practicals.

Recommended Books

• Keynotes in Organic Chemistry, 2nd Edition, Andrew F. Parsons, 2013, ISBN: 978-1-119-99914-0 (http://eu.wiley.com/WileyCDA/WileyTitle/productCd-1119999146.html)
• Organic Chemistry Demystified, Daniel R. Bloch, 2006 (http://www.goodreads.com/book/show/749253.Organic_Chemistry_Demystified
• An Introduction to inorganic chemistry / Keith F. Purcell, John C. Kotz, Philadelphia : Saunders College

Fundamentals of Kinetics (reaction order, rate constant, Arrhenius law,…)
Solution Chemistry (acid-base, redox, precipitation, complexation,…)
Basics of Chemical Thermodynamics (enthalpy, entropy, Gibbs free energy, equilibrium constant,…)

Reaction kinetics

• Relation between rates and mechanisms of chemical reactions
• Collision theory of reaction rates
• Activated complex theory
• Reactions in solution
• Introduction to photochemistry

- Redox reactions and Electrochemistry

• Fundamentals of electron transfer
• Cyclic and linear sweep voltammetry
• Thermodynamics and kinetics of electron transfer
• Electron transfer in biological systems

Laboratory training

• Laser Induced Fluorescence of I2 gas
• Study of molecules by Flash photolysis method
• Influence of the ionic strength on the solubility of a salt
• Cyclic voltammetry of a reversible system
• Mediated redox enzyme electrochemistry

Reaction kinetics in gas and solution: experimental and theoretical approaches. Thermodynamics and kinetics of electron transfers : applications to biological systems

Theoretical courses, tutorials and practicals.

Physical Chemistry, P.W. Atkins, J. De Paula, Ed. Oxford University press
Chemical kinetics and dynamics, J. I. Steinfeld, J. S. Franscisco, W. L. Hase, Ed. Prentice Hall, Englewood Cliffs, New Jersey

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Biophysics and microscopies for the life sciences

• Optical microscopy: Fluorescence and fluorescent probes for biology, setups for microscopy, super-resolved microscopy techniques, applications to quantitative analysis of molecular behaviors in live cells
• Introduction to Atomic Force Microscopy: Atomic Force Microscopy (AFM): Theory and application of AFM. From cells to single molecule studies (Living cells imaging, DNA imaging, biopolymer elasticity).

This course is an introduction to several concepts of Biophysics organized by a multidisciplinary team composed of physico-chemist, physicists and cell biologists. It will focus on microscopies and their application to biology.

Theoretical courses, tutorials and practicals

Practical courses

• Visualization of cell’s cytoskeleton: The aim of the course is to use the immunofluorescence technique to stain components of the cell (actin filaments, tubulins and microtubules) on fixed cells.
• Bioinformatics: The aim of this course is to learn how to use the PDB website and to visualize protein structures in 3D with VMD.
• Atomic force microscopy: This practical course will teach to student how to use an AFM (imaging and force curve analysis) to study fixed and dried cells (bacteria or eukaryotic cells).
• Spectroscopic analysis of the isomerization of a GFP chromophore: The aim of this practical course is to analyze the molecular events happening in a cyan fluorescent protein upon a pH jump from 7 to 5.
• Data analysis of microscopy data [3h ON, ½ classe] Students will analyze time-resolved recordings of biological parameters. They will use in-situ calibration data to quantify cellular concentrations.

Activities in small groups, research related tutorials and hands-on will help to develop critical faculties of the students.

Basics on quantum mechanics (hamiltonien, states of a system)
Basics on classical mechanics (motion of solid bodies)
Description of a photon (as a particle, as an electromagnetic wave)

This teaching unit deals with 4 of the main standard spectroscopic techniques: Mass spectrometry, IR and UV spectroscopies and NMR. Mass Spectrometry: 
Introduction to Mass spectrometry and instrument components (gas phase ion source and mass analyzers).
Interpretation of electron impact fragmentation mass spectra of organic molecules.
Structural and sequence information obtained from tandem mass spectrometry.
 Optical spectroscopies & Photophysical processes
When molecules and light meet
Electronic transitions – UV-visible and fluorescence
Rovibrational spectroscopy – IR spectroscopy.  NMR: Nuclear Magnetic Resonance (NMR) spectroscopy. Introduction and presentation  of the concepts allowing for molecular structure determination, for composition analysis of mixtures, access to dynamics  selected systems, applications to the life science area, and development on NMR equipment.

To gain an overview on the standard methods of optical spectroscopy (IR, UV-vis, fluo, NMR): associated spectral ranges, probed molecular properties, applications in analytical chemistry.
To understand the fundamental photochemical processes.
To gain knowledge about the chemical analysis of compounds using mass spectrometry

Theoretical courses, tutorials and 4 practicals. Mass spectrometry study on gas-phase protonated peptides 
Fluorimetry: Polyatomic molecules in condensed phase 
Infrared spectroscopy: Rotation vibration spectra of CO and HCl 
Nuclear Magnetic Resonance

Students are asked to participate interactively and prepare the exercises that will be proposed.

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Content

French courses: Developing the four language skills in order to be able to communicate with the French: oral and written understanding and oral and written expressions; practical aspects of language in the multimedia room semi self-guided.

Aims

Language Course: The student will acquire the basic knowledge in the national language and a glimpse at national culture and heritage of the hosting country.

Introduction to sustainable development
Life Cycle Assessment (LCA) - eco-design
Chemical waste management/recycling and the circular economy
Renewable and bio-based chemistry
Environmental regulations/standards in chemistry
Environmental performance assessment/certification

•    Educate yourself on the concepts of sustainable development
•    Identify the major environmental regulatory regimes
•    Highlight the role of chemistry: its contributions, challenges, and potential for action
•    Develop critical thinking on environmental and societal issues

6 video modules in French with English subtitles to watch online, followed by a test to obtain certification in the form of a digital badge.

Identify key sustainable development issues to learn about responsible practices

Electrochemical Thermodynamic; Electrochemical Kinetic of metals. Cyclic Voltammetry

Le « rayonnement synchrotron » comme source lumineuse. Visite de SOLEIL.
Analyse de composition de surfaces et interfaces : Principes de la technique ESCA-XPS. Principes de la technique AES. Projet bibliographique.
Analyse vibrationnelle de surfaces : Rappels de spectroscopie IR, Raman (sous air), Coherent Antistokes Raman Scattering (CARS). TP « analyse vibrationnelle d’interfaces ». Projet bibliographique.
Couplage électrochimie interfaciale sur semi-conducteurs (SC) et analyse XPS : Bases de l’électrochimie des SC. Caractérisation des surfaces de SC modifiées par voie électrochimique. Visite de la plateforme XPS.
Objectifs : Se familiariser avec les sources synchrotron.
Appréhender la complémentarité de techniques standards de caractérisation de surfaces et couches minces : spectroscopies XPS et d’électrons Auger, Raman et CARS.
Appréhender la complémentarité des mesures d’électrochimie interfaciale et de l’analyse XPS pour la caractérisation de surfaces de semi-conducteurs.
Synchrotron light source. Visit of the SOLEIL machine.
Composition analysis of surfaces and interfaces: Basics of ESCA-XPS spectroscopy. Basics of AES spectroscopy. Bibliography project. 
Vibrational analysis of surfaces: IR spectroscopy overview, Basics of Raman and Coherent Antistokes Raman Scattering (CARS) spectroscopies. Lab training « vibrational analysis of interfaces ». Bibliography project.
Interfacial electrochemistry / XPS analysis coupling applied to semi-conductors (SC): Basics of electrochemistry on semi-conductors, characterisation SC surfaces electrochemically modified. Synchrotron machine as light sources for spectroscopy.
Comprehend the complementarity of standard techniques for surface and thin film characterization: XPS and AES spectroscopies, Raman et CARS spectroscopies.
Comprehend the complementarity of interfacial electrochemistry and XPS analysis for the analysis and the characterization of SC surfaces.

Se familiariser avec les sources synchrotron.
Appréhender la complémentarité de techniques standards de caractérisation de surfaces et couches
minces : spectroscopies XPS et d’électrons Auger, Raman et CARS.
Appréhender la complémentarité des mesures d’électrochimie interfaciale et de l’analyse XPS pour la caractérisation de surfaces de semi-conducteurs.

Enseignement de type classique avec des cours magistraux, des travaux dirigés et des travaux pratiques sur la spectroscopie et un projet bibliographiques. Visite du synchrotron Soleil et visite le la plateforme
Cours : 21h; TD : 10,5h; TP : 3h; Projet Biblio : 3,5h

Classical teaching with lectures and tutorials with additional pedagogical elements on ENT (former exams, articles...). Lab training on IR spectroscopy. Soleil and XPS visits.
Temporalité : Décembre-Mars /December-March

• Communiquer des informations et des résultats à différents publics en étant capable de décrire un protocole et d’organiser ses résultats.
  - Etablir et réaliser une démarche scientifique en chimie, théorique ou expérimentale, de manière autonome en organisant son temps de travail pour atteindre les objectifs fixés.
  - Choisir et mettre en œuvre les méthodes de séparation et de caractérisation de composés en connaissant les principes théoriques de la mesure et étant capable d’interpréter les résultats.AE4
  - Prédire des propriétés physico-chimiques ou la réactivité des molécules et/ou des matériaux en combinant l’ensemble des savoirs disciplinaires                                                                                                                                                                                                                                                                                                                                                                                                                                            -  Communicate information and results to different audiences by being able to describe a protocol and organize its results.                                                                                                                                                                        
   -   Establish and carry out a scientific approach in theoretical or experimental chemistry,organizing the working time to achieve the fixed objectives.                                                                                                                                                                                                                        
  - Predict physico-chemical properties or the reactivity of molecules and / or materials by combining all disciplinary knowledge;                                                                                                                                                                  
  - To apprehend the properties related to the spatial organization of matter and the temporal aspects of chemical phenomena.

Bachelor (L3) of chemistry or physical chemistry.

Photophysics:
Steady-state absorption and emission from solution to solid state
Time-resolved fluorescence
Processes from the excited state (solvatochromism, excimer/exciplex…)
Quenching processes (dynamic, static, FRET, electron and proton transfer…)
Applications to key aspects of societal issues
Environnement, health, energy and safety

Define and explain the fundamental principles and phenomena of photophysics.

Record and interpret steady-state and time-resolved absorption and emission spectra under appropriate experimental conditions.

Apply the scientific method to analyze and solve scientific questions.

Critically analyze and write a scientific article.

Design, conduct, and report a scientific research project.

The course combines lectures, tutorials, and conferences with additional resources available on the ENT (past exams, scientific articles, lecture notes, podcasts, and books). Some sessions focus on mind-mapping, article analysis, and serious games. Students are actively involved through reverse-class activities and investigative laboratory projects (13 h) conducted in research and teaching labs, culminating in the writing of a scientific article, guided and supported by the instructors during dedicated sessions.

Teaching emphasizes active and research-based learning, including interaction during lectures, peer learning, quizzes, project-based and game-based learning, concept mapping, and oral presentations. Students also write a scientific article related to their experimental project.

The course is delivered in partial HyFlex mode, with three simultaneous formats:

Face-to-face (Room 1IO7 – ENS Paris-Saclay) – recommended.

Synchronous online (virtual room) – request access by email the day before.

Asynchronous (recorded lectures, with the possibility to send questions and access group outputs).

Communiquer des informations et des résultats à différents publics en étant capable de décrire un protocole et d’organiser ses résultats. Etablir et réaliser une démarche scientifique en chimie, théorique ou expérimentale, de manière autonome en organisant son temps de travail pour atteindre les objectifs fixés. Prédire des propriétés physico-chimiques ou la réactivité des molécules et/ou des matériaux en combinant l’ensemble des savoirs disciplinaires. Appréhender les propriétés liées à l’organisation spatiales de la matière et les aspects temporels des phénomènes chimiques.

J.R. Lakowicz : Principles of Fluorescence Spectroscopy et Topics in Fluorescence Spectroscopy
B. Valeur: Molecular Fluorescence: principles and applications et New trends in Fluorescence Spectroscopy
N.J Turro: Modern Molecular Photochemistry, P. Suppau: Chemistry and light 
D. Skoog et al.: Principles of Instrumental Analysis 7th Edition

bibliographic report