Lecture

Quantum Mechanics: Schrödinger Equation

Graph Chat

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

In course

MSE-486: Organic electronic materials

This course will introduce students to the field of organic electronic materials. The goal of this course is to discuss the origin of electronic properties in organic materials, charge transport mechanisms, chemical synthesis, materials processing, and dev ...

Description

This lecture covers the Schrödinger Equation, which describes the total energy of quantum systems in terms of kinetic and potential energy operators. It explains the time-dependent and time-independent Schrödinger equations, approximations to solve them, quantum numbers, exclusion principle, atomic orbitals, and molecular orbital theory. The lecture also discusses valence electrons, VSEPR model, valence bond theory, hybridization, formation of carbon-carbon bonds, molecular orbital energy diagrams, and the complementarity of Valence Bond and Molecular Orbital theories.

Instructor

Holger Frauenrath

Holger Frauenrath (born in Aachen, Germany) studied chemistry at RWTH Aachen , Germany from 1992 to 1997, with a focus on synthetic organic chemistry. He performed his PhD thesis from 1998 to 2001 in the research group of Prof Hartwig Höcker at RWTH Aachen, working on a project related to the stereospecific polymerization of methacrylates as well as their copolymerization with olefins using zirconocene catalysts. Holger Frauenrath then joined the group of Prof. Sam Stupp at Northwestern University , Evanston, IL, USA, as a postdoctoral fellow supported by a Feodor Lynen fellowship of the Alexander von Humboldt Foundation . His postdoctoral research projects were centered around the supramolecular self-assembly of rod-coil molecules. Holger Frauenrath returned to Germany in 2003 and started to build his own research group at FU Berlin, funded with an Emmy Noether Grant from the German Science Foundation . In 2005, the research group moved to the Department of Materials at ETH Zurich , Switzerland, where it became a scientifcally independent part of the Polymer Chemistry Group led by Prof. A. Dieter Schlüter . Holger Frauenrath obtained his Habilitation from ETH Zurich in 2009. In 2009, Holger Frauenrath has been appointed as a professor at the Institute of Materials (IMX) of the Ecole Polytechnique Federale de Lausanne (EPFL) , Switzerland, building the new Laboratory of Macromolecular and Organic Materials (LMOM) . In the same year, Holger Frauenrath was received the prestigious European Research Council (ERC) Starting Investigator grant.

Official source

Ontological neighbourhood

Chemistry

Inorganic chemistry: Coordination chemistry

Computational chemistry: Topics in computational chemistry

Physics

Atomic physics: Topics in atomic physics

Related concepts (32)

Molecular orbital

In chemistry, a molecular orbital (ɒrbədl) is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The terms atomic orbital and molecular orbital were introduced by Robert S. Mulliken in 1932 to mean one-electron orbital wave functions. At an elementary level, they are used to describe the region of space in which a function has a significant amplitude.

Antibonding molecular orbital

In theoretical chemistry, an antibonding orbital is a type of molecular orbital that weakens the chemical bond between two atoms and helps to raise the energy of the molecule relative to the separated atoms. Such an orbital has one or more nodes in the bonding region between the nuclei. The density of the electrons in the orbital is concentrated outside the bonding region and acts to pull one nucleus away from the other and tends to cause mutual repulsion between the two atoms.

Molecular orbital theory

In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. In molecular orbital theory, electrons in a molecule are not assigned to individual chemical bonds between atoms, but are treated as moving under the influence of the atomic nuclei in the whole molecule. Quantum mechanics describes the spatial and energetic properties of electrons as molecular orbitals that surround two or more atoms in a molecule and contain valence electrons between atoms.

VSEPR theory

Valence shell electron pair repulsion (VSEPR) theory (ˈvɛspər,_vəˈsɛpər , ), is a model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. It is also named the Gillespie-Nyholm theory after its two main developers, Ronald Gillespie and Ronald Nyholm. The premise of VSEPR is that the valence electron pairs surrounding an atom tend to repel each other. The greater the repulsion, the higher in energy (less stable) the molecule is.

Valence (chemistry)

In chemistry, the valence (US spelling) or valency (British spelling) of an atom is a measure of its combining capacity with other atoms when it forms chemical compounds or molecules. Different sources specify different definitions, but valence is generally understood to be the number of chemical bonds that each atom of a given element typically forms; for a specified compound the valence of an atom is the number of bonds formed by that atom. Double bonds are considered to be two bonds, and triple bonds to be three.

Related lectures (64)

Molecular Structure: Intramolecular Electron Delocalization

Discusses molecular structure and intramolecular electron delocalization, focusing on quantum mechanics and the transition from atomic to molecular orbitals.

Molecular Orbitals: Bonding and Hybridization

Explores the transition from atomic to molecular orbitals, covering quantum systems, approximations, valence electrons, and covalent bonds.

Atomic Orbitals and Molecular Bonding

Explores atomic orbitals, molecular bonding, valence electrons, hybridization, and molecular structure with multiple bonds.

Atomic Orbitals and Hybridization

Explores atomic orbitals, hybridization, bond formation, and electron delocalization in covalent bonds.

Atomic Structure: Quantum Mechanics