Studienhandbuch | UE Interpretation of NMR Spectra and Structure Elucidation of Organic Molecules

Inhalt

[ 290OPCHNMRU19 ] UE Interpretation of NMR Spectra and Structure Elucidation of Organic Molecules

Workload	Education level	Study areas	Responsible person	Hours per week	Coordinating university
1,5 ECTS	B2 - Bachelor's programme 2. year	Chemistry	Mario Waser	1 hpw	Johannes Kepler University Linz

Detailed information

Original study plan

Bachelor's programme Chemistry and Chemical Technology 2025W

Learning Outcomes

Competences
• Theoretical understanding: Students would be able to explain fundamental aspects of NMR spectroscopy, including basic theory, principles, and concepts. • Data analysis: They would become proficient in interpreting complex NMR spectra, including 1D and 2D data • Structural elucidation: Students would be able to analyse conformational, structural, and functional problems within organic compound classes using NMR methods • Problem-solving: They would develop the ability to predict which NMR experiments to use for solving specific structural or functional problems • Communication: They would be able to present NMR-based structural or functional analyses of organic compounds both in written and oral formats

Skills	Knowledge
More specifically, upon completion of the course they will be able to: • understand basic NMR principles: Students learn the fundamental concepts of nuclear magnetic resonance, including spin properties, magnetic field interactions, and resonance phenomena. (k1,k2,k3) • signal identification and analysis: The course teaches how to identify and analyse different types of signals, including chemical shifts, multiplicities, and coupling constants. (k1,k2,k3,k4) • molecular structure interpretation: Students practice deducing molecular structures based on NMR data, including identifying functional groups and molecular fragments. (k1,k2,k3,k4,k5) • spectrum reading and integration: The course covers how to read and interpret NMR spectra, including peak integration to determine the number of equivalent nuclei. (k1,k2,k3,k4) • understanding the effects of chemical environment: Students learn how different chemical environments affect NMR signals, including shielding and de-shielding effects. (k1,k2,k3,k4) • recognizing common patterns: The course helps students to identify common spectral patterns associated with specific molecular features. (k1,k2,k3,k4) • correlating spectral data: Students practice correlating data from different types of NMR experiments (e.g., 1H and 13C NMR) to build a comprehensive understanding of molecular structure. (k1,k2,k3,k4) • problem-solving and critical thinking: The course develops analytical skills to solve complex spectral interpretation problems. (k1,k2,k3,k4) • Understanding limitations: The course covers the limitations of basic NMR techniques and introduce advanced NMR methods for more complex structural analysis. (k1,k2,k3,k4,k5)	Underlying concepts and mechanistic details of: • Basic NMR principles: Understanding the fundamental concepts of nuclear magnetic resonance, including spin properties, magnetic field interactions, and resonance phenomena • Chemical shift analysis: Learning about chemical shifts, factors influencing them, and their relationship to molecular structure • Spin-spin coupling: Comprehending the principles of spin-spin coupling and analysing first-order coupling patterns • Spectrum interpretation: Developing skills to analyse and interpret 1D and 2D NMR spectra, including peak identification, integration, and correlation of spectral data. • Experimental techniques: Familiarizing with various NMR experiments, including 1D and 2D techniques, and learning how to choose appropriate experiments for specific structural analyses • Structural elucidation: Applying NMR data to determine molecular structures and identify unknown compounds • Advanced NMR methods: Introduction to more complex NMR techniques and their applications in organic chemistry • Limitations and problem-solving: Recognizing the limitations of NMR spectroscopy and developing critical thinking skills to address complex spectral interpretation problems

Criteria for evaluation

Performance in written homework (spectral interpretation and assignment tasks and structure elucidations)

Methods

Presentations and hands-on exercises

Language

English

Study material

High-Resolution NMR Techniques in Organic Chemistry, TIMOTHY D W CLARIDGE, Chemistry Research Laboratory, Department of Chemistry, University of Oxford
NMR — From Spectra to Structures - An Experimental Approach; Mitchell, Terence N., Costisella, Burkhard
NMR Spectroscopy: Basic Principles, Concepts, and Applications in Chemistry; Harald Günther

Changing subject?

Further information

It is recommended to take this course in parallel to the Laboratory Course of Preparative Organic Chemistry for Biological Chemistry 1.

Earlier variants

They also cover the requirements of the curriculum (from - to)
290OPCHSP1U18: UE Exercises in Spectroscopy and Structure Elucidation I (2018W-2019S)

On-site course
Maximum number of participants	25
Assignment procedure	Direct assignment