University of Konstanz2.1.12 Materials Science Strategies Towards Energy Technology and Nanomedicine ... liquids, and solids, heat capacity • chemical equilibria, chemical potential

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University of Konstanz

Department of Chemistry

1 Key ................................................................................................................................................... 3

2 Master ............................................................................................................................................. 4

2.1 Winter Semester: All Courses are Class A. .............................................................................. 4

2.1.1 Advanced Organic Chemistry (Lecture) ........................................................................... 4

2.1.2 Advanced Organic Chemistry (Internship) ...................................................................... 4

2.1.3 Nanochemistry and –analytics (Lecture) ......................................................................... 4

2.1.4 Nanochemistry and –analytics (Internship) .................................................................... 5

2.1.5 Advanced Physical Chemistry (Lecture) .......................................................................... 5

2.1.6 Advanced Physical Chemistry (Internship) ...................................................................... 6

2.1.7 Biophysical Chemistry (Lecture) ...................................................................................... 6

2.1.8 Biophysical Chemistry (Internship) .................................................................................. 7

2.1.9 Organometallic Chemistry of the Main Group Elements (Lecture) ................................. 7

2.1.10 Organometallic Chemistry of the Main Group Elements (Internship) ............................ 8

2.1.11 Materials Science Strategies Towards Energy Technology and Nanomedicine (Lecture)

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2.1.12 Materials Science Strategies Towards Energy Technology and Nanomedicine

(Internship) ...................................................................................................................................... 8

2.2 Summer Semester: All Courses are Class A. .......................................................................... 10

2.2.1 Synthesis of natural products and drugs (Lecture) ....................................................... 10

2.2.2 Synthesis of natural products and drugs (Internship) ................................................... 10

2.2.3 Chemical Biology of Carbohydrates (Lecture) ............................................................... 10

2.2.4 Chemical Biology of Carbohydrates (Internship) ........................................................... 11

2.2.5 Biopolymer Chemistry (Lecture) .................................................................................... 11

2.2.6 Biopolymer Chemistry (Internship) ............................................................................... 12

2.2.7 Spectroscopy (Lecture) .................................................................................................. 12

2.2.8 Spectroscopy (Internship) ............................................................................................. 12

2.2.9 Computational Chemistry (Lecture) .............................................................................. 13

2.2.10 Computational Chemistry (Internship) .......................................................................... 14

2.2.11 Surface Science and Heterogeneous Catalysis (Lecture)............................................... 14

2.2.12 Surface Science and Heterogeneous Catalysis (Internship) .......................................... 14

2.2.13 Synthesis and Properties of Functional Materials (Lecture) ......................................... 15

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2.2.14 Synthesis and Properties of Functional Materials (Internship) ..................................... 15

2.2.15 Metal-organic Chemistry and Catalysis (Lecture) .......................................................... 15

2.2.16 Metal-organic Chemistry and Catalysis (Internship) ..................................................... 16

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1 Key

Courses Class A: These courses take place each year in English.

Courses Class B: Courses are offered in English in this subject area.

Courses Class C: In these modules courses are held in English.

Level: Level of the course: 1st, 2nd, 3rd, 4th year

ECTS: Minimum and maximum achievable ECTS.

Title: Titel of the course or seminar.

Topic/Subject area/Modules: Description, in which study area or module most likely English courses are offered.

Form of examination Kind of exam.

Description Description of the course or seminar: 1) Type of course; 2) Con-tent of the course/subject area/modules; 3) According to Class B/C courses: the expected number of courses.

Course Code: ZEuS Course Code

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2 Master

2.1 Winter Semester: All Courses are Class A.

2.1.1 Advanced Organic Chemistry (Lecture) ECTS: 6

Course Code: CHE-10300

Form of examination: Written exam

ZEUS-Permalink: https://zeus.uni-konstanz.de:443/hioserver/pages/startFlow.xhtml?_flowId=detailView-flow&uni-tId=7677&periodId=78&navigationPosition=studiesOffered,courseoverviewShow

Description: Educational objectives: In-depth-knowledge in synthetic planning; strategy and retrosynthetic planning. Application of these concepts to complex natural products. Understanding of reaction mechanisms, and their application to multistep synthesis. Inisghts in photochemical principles and reactions. NMR spectra interpretation for structure eluci-dation. Teaching content: Special focus on rearrangement reactions; reactive intermediates and photochemistry. NMR spectra interpretation and structure elucidation with one- and two dimensional NMR-echniques.

2.1.2 Advanced Organic Chemistry (Internship) ECTS: 6


Form of examination: According to the arrangement

ZEUS-Permalink: https://zeus.uni-konstanz.de:443/hioserver/pages/startFlow.xhtml?_flowId=detailView-flow&unitId=7678&periodId=78&navigationPosition=studiesOffered,courseoverviewShow

Description: See above

2.1.3 Nanochemistry and –analytics (Lecture) ECTS: 6



ZEUS-Permalink: https://zeus.uni-konstanz.de:443/hioserver/pages/startFlow.xhtml?_flowId=detailView-flow&unitId=7692&periodId=78

Description: Educational objectives: Synthesis, analytics and properties of nanoparticles with a focus on analytics. Teaching content:

https://zeus.uni-konstanz.de/hioserver/pages/startFlow.xhtml?_flowId=detailView-flow&unitId=7677&periodId=78&navigationPosition=studiesOffered,courseoverviewShow




https://zeus.uni-konstanz.de/hioserver/pages/startFlow.xhtml?_flowId=detailView-flow&unitId=7692&periodId=78


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Special features of colloidal systems – Size dependent properties, Nanoparticle synthesis, Nucle-ation and growth, Interface chemistry, Stabilization and destabilization of nanoparticles, DLVO The-ory, colloidal forces, Requirements for nano analytics, Analytical Ultracentrifugation, Light scatter-ing, Field-Flow-Fractionation, Taylor dispersion, Particle tracking microscope, Detection of nuclea-tion and growth processes via fast UV-Vis spectroscopy, Optical and scanning electron microscopy, Scanning force microscopy, Comparative judgement of analysis results from different techniques.

2.1.4 Nanochemistry and –analytics (Internship) ECTS: 6

Course Code:




2.1.5 Advanced Physical Chemistry (Lecture) ECTS: 6




Description: Educational objectives: The students know how to apply thermodynamics, statistical thermodynamics, quantum chemistry, spectroscopy, kinetics, and intermolecular interactions. They master the deveopment and applica-tion of simple models, know how to formulate the models mathematically, and are able to gain insight into the chemical-physical nature of problems. The students can quantitatively analyze re-sults from experiments in organic and inorganic chemistry, biochemistry and molecular biology. Teaching content: The course will recapitulate and consolidate material from the Bachelor level. In contrast to the courses on the Bachelor level, a special emphasis will now be laid on application of the important concepts to practical problems. For this purpose, we will use simple models which give insight into the nature of the problems and allow their quantitative analysis.

a) Basics Short recapitulation of the basics: • estimation of orders of magnitude • principles of probability calculus, approximations • fundamental terms of thermodynamics: heat, work, energy, entropy, free energy, three laws of thermodynamics • fundamentals of quantum mechanics: atomic wavefunctions, Hamilton operator, particle in a box, harmonic oscillator, rotator, molecular bonds • Boltzmann distribution

b) Systems Description of (statistical) models for the description of molecular systems: • simple gases, liquids, and solids, heat capacity • chemical equilibria, chemical potential





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• equilibria between solids, liquids, gases • solutions • phase transitions • electrochemistry

c) Dynamic processes • diffusion and flow • chemical kinetics; transition states • optical spectroscopy

2.1.6 Advanced Physical Chemistry (Internship) ECTS: 6





2.1.7 Biophysical Chemistry (Lecture) ECTS: 6




Description: The students know how to apply the teaching content of the lectures in Physical Chemistry within the Bachelor study course, e. g. thermodynamics, statistical thermodynamics, quantum chemistry, spectroscopy, kinetics, and intermolecular interactions, to problems in biophysical chemistry. They master the development and application of simple models, know how to formulate the models mathemati-cally, and are able to gain insight into the chemical-physical nature of problems within a biological framework. The students can quantitatively analyze results from important experi-ments in biophysical chemistry. Teaching content: The course will recapitulate and consolidate material from the Bachelor level. In contrast to the courses on the Bachelor level, a special emphasis will now be laid on application of the important concepts to practical problems. For this pur-pose, we will use simple models which give insight into the nature of the prob-lems and allow their quantitative analysis. • Diffusion and transport of molecules

Random Walk Single-molecule microscopy, Super resolution Fluorescence Correlation Spectroscopy

• Protein folding (Non-covalent) interactions Statistical Thermodynamics Entropy, Boltzmann distribution Free-energy landscape IR-Spectroscopy





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FT-techniques

• Protein structure X-ray structure determination Conformational ensembles Magnetic Resonance Spectroscopy Molecular dynamics simulations

• Molecular interactions and molecular recognition Thermodynamics, Allostery EPR spectroscopy

• Molecules at work Molecular crowding Intracellular Spectroscopy

2.1.8 Biophysical Chemistry (Internship) ECTS: 6





2.1.9 Organometallic Chemistry of the Main Group Elements (Lecture) ECTS: 6


Form of examination: Seminar presentation and final exam

ZEUS-Permalink: https://zeus.uni-konstanz.de:443/hioserver/pages/startFlow.xhtml?_flowId=detailView-flow&uni-tId=13203&periodId=78

Description: Educational objectives:

Comprehensive knowledge of the activities and properties of main-group organyls

Insight into current research in the scientific field

Critical review of publications

Safe handling, synthesis and characterization of organometallic compounds during an in-ternship in the research group (12 CP option)

Teaching content: The students get an overview on important organometallic compounds of main group elements as well as their syntheses and applications. The properties and reactivities of the compound classes are discussed on the basis of selected ex-amples. Another important aspect is the bonding situa-tion in organometallic compounds. The course also covers analytical methods, which play a role in the characterization of organometallic compounds.





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Because of their great importance for preparative organic and inorganic chemis-try, the organyl compounds of lithium, magnesium, boron, aluminum, and silicon are presented in particular de-tail. In the seminar the participants present recent publications from the research field and critically discuss the results and conclusions. The 12 CP option includes a practical internship and allows the participants to gain deeper insight into the topic. Furthermore the students get trained in han-dling organometallic compounds under inert conditions.

2.1.10 Organometallic Chemistry of the Main Group Elements (Internship) ECTS: 6


Form of examination: Grade for the internship in-cluding the report



2.1.11 Materials Science Strategies Towards Energy Technology and Nanomedicine (Lecture)

ECTS: 6




Description: Educational objectives: Students should acquire advanced knowledge in the field of energy technology. The emphasis is on the use of innovative materials in the context of energy technology. Issues of synthesis of chemical materials, characterization and applications are discussed. The students should learn how to adjust the properties of materials in a targeted way and how the relationships of the properties and func-tions in the application are. Teaching content: Hydrogen technology, fuel cells, LEDs, solar cells, thermoelectrics, battery technology, thermal in-sulation, electrochemistry, porous materials, nanomaterials, colloids, nanomedicine.

2.1.12 Materials Science Strategies Towards Energy Technology and Nanomedicine (In-ternship)

ECTS: 6




Description:







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In the practical part, the acquired knowledge should be deepened by working in the research group on a current research project.

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2.2 Summer Semester: All Courses are Class A.

2.2.1 Synthesis of natural products and drugs (Lecture) ECTS: 6




Description: Educational objectives: Sound knowledge of synthesis planning; Application of retrosynthesis to complex molecules; Un-derstanding of mechanistic aspects of complex chemical reactions and their use in multi-step syn-theses. Teaching content: Natural product synthesis is often the starting point for lead-structure development in the phar-maceutical industry. Contents of the course are u.a. the planning of complex syntheses, including the training of stu-dents in retrosynthesis, the learning of new reactions and their mechanisms, as well as the deepe-ning of the knowledge on reactivity / selectivity principles. Accompanying the lecture, under the guidance of doctoral students of the research group, prepa-rations for the above topic will be prepared and characterized.

2.2.2 Synthesis of natural products and drugs (Internship) ECTS: 6




2.2.3 Chemical Biology of Carbohydrates (Lecture) ECTS: 6


Form of examination: Written exam, the oral presen-tation in the seminar


Description: Educational objectives: The students

will gain extensive knowledge of the structure and reactivity of mono- and oligosaccha-rides

will gain extensive knowledge of the occurrence and biological importance of carbohy-drates, in particular glycoproteins

will learn advanced protective group techniques in the field of carbohydrate chemistry







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will learn modern techniques for the chemical and enzymatic synthesis of O-glycosides

will learn state-of-the-art developments of glycobiology. Teaching content: Carbohydrates are polyfunctional natural products which do not only serve as structural sub-stances and energy storage but are also involved in numerous biological recognition processes. The lectures communicate the basic reaction principles of this important group of substances as well as their biological functions. Topics will be among others the particularities of the anomeric center, modern regio- and stereoselective glycoside syntheses, protective group strategies, enzy-matic glycoside syntheses, oligosaccharide syntheses in solution and on solid phase, preparation of C-glycosides, selected biological recognition processes, as well as state-of-the-art developments in the field of glycobiology. Supervised by advanced PhD students, the lectures will be comple-mented by the preparation of multi-stage compounds as well as the analysis of their constitution and configuration by NMR spectroscopy.

2.2.4 Chemical Biology of Carbohydrates (Internship) ECTS: 6


Form of examination: Lab work protocol



2.2.5 Biopolymer Chemistry (Lecture) ECTS: 6




Description: Educational objectives: Acquirement of a basic understanding of the synthesis, chemical manipulation and analysis of pep-tides, proteins and nucleic acids. Particular emphasis will be placed on the synthesis, modification and understanding of the intrinsic properties of the biopolymers depicted above. Teaching content: The course communicates selected aspects of modern peptide, protein and nucleic acids chemis-try. Peptides & Proteins: structure and properties, chemical synthesis and modification, automated synthesis, modern conjugation chemistry. Proteomics: protein purification and identification by mass spectrometry, identification of post-translational modifications. Nucleic Acids: structure and properties, chemical synthesis of nucleosides and their analogues, au-tomated DNA and RNA synthesis, conjugation, nucleosides and nucleic acids as drugs and drug tar-gets.





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2.2.6 Biopolymer Chemistry (Internship) ECTS: 6





2.2.7 Spectroscopy (Lecture) ECTS: 6

Course Code: CHE-10680 |



Description: Educational objectives: The students get advanced knowledge in spectroscopy. They learn to describe the interaction of matter with light on a higher level of theory. General concepts of single molecule versus ensemble measurements, pump-probe approaches, resonance techniques and multidimensional spectros-copy will be explained. The students get to know procedures to analyze spectroscopic data in a quantitative manner. They get the background knowledge to work with complex experimental set-ups and to do methodological developments. The students have the option to apply their attained knowledge in the lab course. Teaching content: Contents of the lecture (6-ECTS variant): • advanced theory of spectroscopy: quantum states, energy levels, wave functions, transition di-poles, transition probabilities, Einstein coefficients, excited-state lifetimes, spectroscopic line shapes, line widths, perturbation theory • single molecule versus ensemble measurements • linear and non-linear optics • pump-probe approaches • resonance techniques • multidimensional spectroscopy • Fourier analysis • multivariate data analysis

2.2.8 Spectroscopy (Internship) ECTS: 6




Description:







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The 12-ECTS variant implies the successful accomplishment of the lab course that can be per-formed in the research groups Drescher, Hauser or Zumbusch. The number of lab course partici-pants is limited.

2.2.9 Computational Chemistry (Lecture) ECTS: 6




Description: Educational objectives: The students will obtain an overview of different aspects of the use of computers in chemistry and learn to apply common computational tools via practical exer-cises. Students will get to know different computer simulation methods for molecular systems – from the quantum chemical to the classical level. They will learn to apply the concepts introduced in the modules Physical Chemistry 1-4 to the numerical investigation of chemical and biomolecular prob-lems, i.e. to solve elec-tronic structure problems on a computer and to simulate statistical me-chanical ensembles of atoms and molecules. The main focus of the course will be on the link between statistical mechanics and computer simu-lations, i.e. on classical models and simulation methods. The students will get acquainted with the basic concepts of molecular dynamics simulations and learn to apply them with the help of practi-cal exercises. They will carry out simulations of simple systems such as liquids, electrolytes and (bio)molecules in solution. The students will learn to assess the applicability as well as the limita-tions of the models and methods. The general concepts of ad-vanced simulation techniques (com-putation of free energies, enhanced sampling methods, multiscale simulations) will be introduced, so that students are able to follow, assess and carry out computer simulation studies for practical applica-tions in chemistry, chemical biology and nanoscience. In the practical exercises accompanying the lecture, students will get acquainted with the Linux operating system, some standard computer simulation software, and the use of different compu-tational tools to analyze and visualize data as well as molecular systems. No prior knowledge of programming languages is required. Teaching content: Methods and models in theoretical chemistry on different levels of resolution:

a short introduction to computational quantum chemistry with examples

classical simulation methods, computational statistical mechanics, the molecular dynamics simulation algorithm; controlling the system (themostats, barostats, …)

classical forcefields: intra- and intermolecular interactions; solvent models; the treatment of electrostatic interactions

analysis of classical simulations: computation of thermodynamic, structural and dynamic properties

methods to compute free energies

advanced sampling methods

concepts of multiscale simulations and scale-bridging Practical exercises:

simulation of simple model systems (simple liquids/solutions/mixtures)



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technical aspects of molecular simulation (boundary conditions; energy conservation; con-trolling the systems; practical aspects of model implementation: forcefields; treatment of electrostatic interactions)

applications in chemical biology and materials science (peptide folding; crystallization from melt and solution; (bio)polymer-ion interactions …)

use of computational tools to set up and display biological and materials science systems (including the use of databases such as the ProteinDataBank)

data analysis (scripting tools; matlab; …)

2.2.10 Computational Chemistry (Internship) ECTS: 6


Form of examination: Report


Description: The students will gain insight into to-date research in the field of computational chemistry, bio-molecular modeling and computational materials chemistry.

2.2.11 Surface Science and Heterogeneous Catalysis (Lecture) ECTS: 6




Description: Educational objectives: The students should acquire comprehensive knowledge about properties and reactivity of sur-faces. Teaching content: Liquid surfaces, thermodynamics of surfaces, charged surfaces, surface forces, adsorption, col-loids, thin films, surfaces of solid states, electronic properties of surfaces, diffusion on surfaces, heterogeneous catalysis, catalysts and their investigation, poisoning and promotion of catalysts, the active center, catalytic activity, important, heterogeneously catalyzed processes and products of the chemical industry.

2.2.12 Surface Science and Heterogeneous Catalysis (Internship) ECTS: 6


Form of examination: Lecture and practical perfor-mance








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Description: In the practical part, the acquired knowledge should be deepened by working in the research group on a current research project.

2.2.13 Synthesis and Properties of Functional Materials (Lecture) ECTS: 6




Description: Educational objectives: The particpants gain an in-depth understanding and knowlege of topical methods and problems in the preparation of functional materials, and their structure and properties. Teaching content: Controlled metal-mediated polymerization to different molecular architectures and morphologies: living chain growth, reversibel transmetallation to multiblock copolymers, ring opening, redox-strategies, radical growth. Synthesis of conjugated semiconducting polymers and optical proper-ties, OLEDs and polymer solar cells. Inorganic Polymers. Preparation and characterization of nano-particles, nanocomposites, and coatings.

2.2.14 Synthesis and Properties of Functional Materials (Internship) ECTS: 6


Form of examination: report on practical course


Description: Optionally practical course in the form of participation in a research project.

2.2.15 Metal-organic Chemistry and Catalysis (Lecture) ECTS: 6




Description: Educational objectives: The students obtain deeper insight into the field of metal-organic chemistry with particular em-phasis on its application to homogeneous catalysis and modern synthesis. This includes elemen-tary reactions of catalytic processes and methods applied for their mechanistic studies. They also learn about the typical catalysts employed in the most important transformations, their reactivi-ties and modes of action as well as the scope and limitations of various catalysts. Teaching content:







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Basic reactions of catalytic transformations, relation between valence-electron count, co-ordination geometry and preferred reactivity patterns

Important classes of steering ligands in homogeneous catalysis: CO, olefins, phosphines and N-heterocyclic carbenes; steric and electronic properties

Alkyl- and aryl complexes: Synthesis, stabilities, decomposition pathways, application in diverse Pd- and Ni-catalyzed C-C cross coupling reactions, applications.

Olefin complexes: Synthesis, properties, catalytic hydrogenation, directed and enantiose-lective hydrogenation, chiral phosphine and diphosphine ligands for enantioselective hy-drogenation

Cobalt- and rhodium phosphine complexes in hydroformylation; chemo- and regioselectiv-ity, competing reactions, enantioselective hydroformylation, Fischer-Tropsch reaction

Carbene and carbyne complexes in olefin and alkyne metathesis, variations of olefin and alkyne metathesis.

2.2.16 Metal-organic Chemistry and Catalysis (Internship) ECTS: 6




Description: Practical course and participation in a research project involving catalytic transformations.



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University of Konstanz2.1.12 Materials Science Strategies Towards Energy Technology and Nanomedicine ... liquids, and solids, heat capacity • chemical equilibria, chemical potential