# Search result: Catalogue data in Autumn Semester 2022

Chemistry Master | ||||||||||||||||||||||||

Electives Students are free to choose from a range of D-CHAB chemistry courses appropriate to their level of study (please note admission requirements). In case of doubt, contact the student administration. | ||||||||||||||||||||||||

Physical Chemistry | ||||||||||||||||||||||||

Number | Title | Type | ECTS | Hours | Lecturers | |||||||||||||||||||
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529-0433-01L | Advanced Physical Chemistry: Statistical Thermodynamics | W | 6 credits | 3G | R. Riek, J. Richardson | |||||||||||||||||||

Abstract | Introduction to statistical mechanics and thermodynamics. Prediction of thermodynamic and kinetic properties from molecular data. | |||||||||||||||||||||||

Objective | Introduction to statistical mechanics and thermodynamics. Prediction of thermodynamic and kinetic properties from molecular data. | |||||||||||||||||||||||

Content | Basics of statistical mechanics and thermodynamics of classical and quantum systems. Concept of ensembles, microcanonical and canonical ensembles, ergodic theorem. Molecular and canonical partition functions and their connection with classical thermodynamics. Quantum statistics. Translational, rotational, vibrational, electronic and nuclear spin partition functions of gases. Determination of the equilibrium constants and (transition-state theory) rates of gas phase reactions. Description of ideal gases and ideal crystals. Lattice models, mixing entropy of polymers, and entropic elasticity. | |||||||||||||||||||||||

Lecture notes | See homepage of the lecture. | |||||||||||||||||||||||

Literature | See homepage of the lecture. | |||||||||||||||||||||||

Prerequisites / Notice | Chemical Thermodynamics, Reaction Kinetics, Molecular Quantum Mechanics and Spectroscopy; Mathematical Foundations (Analysis, Combinatorial Relations, Integral and Differential Calculus) | |||||||||||||||||||||||

Competencies |
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529-0443-01L | Advanced Magnetic Resonance Does not take place this semester. | W | 6 credits | 3G | G. Jeschke, A. Barnes | |||||||||||||||||||

Abstract | The course is for advanced students and covers selected topics from magnetic resonance spectroscopy. This semester, the lecture will introduce and discuss the dynamics of electron-nuclear spin systems and experiments based on hyperfine interactions in electron paramagnetic resonance (EPR) spectroscopy and dynamic nuclear polarization (DNP) for sensitivity enhancement in NMR. | |||||||||||||||||||||||

Objective | The course aims at enabling students to understand and design experiments that are based on hyperfine coupling between electron and nuclear spins. This includes analytical and numerical treatment of spin dynamics as well as instrumental aspects. Additionally, students will learn how to use hyperfine couplings to increase sensitivity in solid state NMR via dynamic nuclear polarization (DNP), with an emphasis on the instrumentation required to perform DNP with magic angle spinning (MAS) NMR. | |||||||||||||||||||||||

Content | The course starts with a recapitulation of density operator and product operator formalism with special emphasis on electron-nuclear spin systems in the solid state. We then treat basic phenomena, such as passage effects, avoided level crossings, and hyperfine decoupling. Based on these foundations, we discuss polarization transfer from the electron to the nuclear spin and back, as well as spin diffusion as a mechanism for polarizing nuclear spins beyond the immediate vicinity of the electron spin. The second half of the course will cover dynamic nuclear polarization (DNP), with a focus on instrumentation required to perform pulsed DNP with magic angle spinning (MAS) at ultra-high magnetic fields. A review of salient interactions in the NMR solid state NMR Hamiltonian, DNP mechanisms, and electron decoupling with MAS will motivate discussions of technology development. Specific technologies to be covered include, but are not limited to, frequency agile gyrotron oscillators, corrugated waveguides, microwave lenses, strategies for creating pulsed and frequency chirped microwaves, spherical MAS rotors and supporting stators, high temperature superconductor (HTS) based compact magnets, and radio-frequency circuits for multinuclear spin control and detection. Prerequisite: A basic knowledge of Magnetic Resonance, e.g. as covered in the Lecture Physical Chemistry IV, or the book "Spin Dynamics" by Malcolm Levitt. | |||||||||||||||||||||||

Lecture notes | A script which covers the topics will be distributed in the lecture and will be accessible through the course Moodle | |||||||||||||||||||||||

529-0027-00L | Advanced Magnetic Resonance - Solid State NMR | W | 6 credits | 3G | M. Ernst | |||||||||||||||||||

Abstract | The course is for advanced students and introduces and discusses the theoretical foundations of solid-state nuclear magnetic resonance (NMR). | |||||||||||||||||||||||

Objective | The aim of the course is to familiarize the students with the basic concepts of modern high-resolution solid-state NMR. Starting from the mathematical description of spin dynamics, important building blocks for multi-dimensional experiments are discussed to allow students a better understanding of modern solid-state NMR experiments. Particular emphasis is given to achiving high spectral resolution. | |||||||||||||||||||||||

Content | The basic principles of NMR in solids will be introduced. After the discussion of basic tools to describe NMR experiments, basic methods and experiments will be discussed, e.g., magic-angle spinning, cross polarization, decoupling, and recoupling experiments. Such basic building blocks allow a tailoring of the effective Hamiltonian to the needs of the experiment. These basic building blocks can then be combined in different ways to obtain spectra that contain the desired information. | |||||||||||||||||||||||

Lecture notes | A script which covers the topics will be distributed in the lecture and will be accessible through the web page Link | |||||||||||||||||||||||

Prerequisites / Notice | Prerequisite: A basic knowledge of NMR, e.g. as covered in the Lecture Physical Chemistry IV, or the book by Malcolm Levitt. |

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