Course syllabus

Course-PM

KOK032 KOK032 Applied organic molecular spectroscopy lp1 HT26 (7.5 hp)

Course is offered by the department of Chemistry And Chemical Engineering

Contact details

• examiner: Gunnar Westman westman@chalmers.se 
• lecturer: Gunnar Westman westman@chalmers.se, Per Malmberg, per.malmberg@chalmers.se 
• teachers: William Reinholdsson, wilrei@chalmers.se 
• student representatives:      
  Sanna Isaksson, sanna@codewell.se
  Rickard Laninge, rickardl9903@gmail.com  
  Johanna Torstensson, jkl.torstensson@gmail.com       

Course purpose

The overall purpose of the course is to develop an understanding of how spectroscopic experiments can be used to determine molecular structure and investigate molecular behaviour.

The course covers nuclear magnetic resonance (NMR), infrared and Raman spectroscopy (IR/Raman), and mass spectrometry (MS). You will learn both the physical and chemical principles behind these techniques and how experimental observations can be related to molecular structure.

A central ambition of the course is Learning to think with spectroscopy. Rather than treating NMR, IR/Raman and MS as separate analytical techniques, the course aims to develop your ability to combine spectroscopic information and use it for scientific reasoning and problem solving.

The course therefore progresses from identifying and assigning spectral signals to interpreting molecular structure and behaviour, and finally to selecting appropriate spectroscopic experiments for answering scientific questions.

By the end of the course, you should increasingly be able to approach a problem by asking:

What do I want to know about this molecular system, and what experiment should I perform to find out?

Schedule

General Weekly schedule (The detailed schedule, including rooms and occasional changes of days or times, is available in TimeEdit.)
Lectures:          Thursdays 13:15-17:00, Starts 3^th of Sept., Room Kemi L1
Tutorials/exercises: Friday 13:15-15:00, Starts 4^th of Sept., Room Vasa L2

TimeEdit

Course literature

Main course book: Organic Structural Spectroscopy, New Int. Ed., 5^nd ed. by Lambert, Gronert, Shurvell, Lightner, Cooks. 
Other books (that are equally good): Spectroscopy [paper copy]/ Gary M. Lampman
Organic structural spectroscopy [paper copy]/ Joseph B. Lambert
Organic Spectroscopy [electronic resource] / by Lal Dhar Singh Yadav.

Course design

The course is built around the perspective Learning to think with spectroscopy and combines lectures, tutorials, individual literature work and project-based learning.

Lectures

The lectures introduce the theoretical principles behind NMR, IR/Raman and MS and connect these principles to molecular structure and experimental observations.

Each part of the course combines fundamental spectroscopy with examples of modern applications. Research articles and experimental examples are used to illustrate how spectroscopy can address questions concerning molecular interactions, dynamics, interfaces and complex samples.

Tutorials and exercises

Tutorials are an essential part of the course. Here you will actively work with spectra and gradually move from relatively straightforward structure-assignment problems to more complex problems requiring information from several spectroscopic techniques.

You will also be introduced to software for spectral analysis and visualization, including MestreNova and Quasar.

The best way to learn spectroscopy is by actively interpreting spectra. You are therefore strongly encouraged to attempt the problems yourself before looking for solutions and to discuss alternative interpretations with other students.

Literature project

You will perform a short literature study on a topic related to NMR, IR/Raman or MS.

The purpose is to explore an application or development in spectroscopy beyond the material covered in the textbook and to practise literature searching, critical reading and scientific communication.

The work can be carried out individually or in groups of two students. Detailed instructions, deadlines and information about the presentation are provided in the separate project instructions on Canvas.

Verify and assign structure project

In this project you will work with a spectroscopic problem in which the objective is to verify or determine molecular structure using experimental data.

The project requires you to combine information from different spectroscopic techniques and to explain the reasoning leading from experimental observations to structural conclusions.

The project is carried out in small groups and concludes with an oral presentation. Detailed instructions and project material are available on Canvas.

Scientific problem solving and data analysis

Modern spectroscopy often generates large and multidimensional datasets. During the course you will therefore encounter examples of statistical and multivariate analysis, Design of Experiments (DoE), and AI-assisted analysis.

The purpose is not to train you as a data scientist, but to demonstrate how computational tools can complement spectroscopy. Particular emphasis will be placed on distinguishing between finding patterns in data and understanding their chemical meaning.

Computational tools can identify correlations, classify spectra and suggest assignments, but the scientist remains responsible for evaluating whether the interpretation is chemically and physically reasonable.

 

Changes made since the last occasion

The fundamental learning objectives and spectroscopic techniques covered in the course remain unchanged.

For 2026, the course has been further developed towards the perspective Learning to think with spectroscopy. Greater emphasis is placed on connecting fundamental spectral interpretation with scientific problem solving and the selection of appropriate experimental methods.

The course also includes additional examples of modern spectroscopy, dynamic measurements, complex samples, multidimensional data analysis and AI-assisted interpretation.

The tutorials and projects have been further integrated with the lectures to strengthen the progression from basic spectral assignment to independent interpretation and experimental strategy.

Learning objectives and syllabus

Formal learning outcomes

After completion of the course, the student should be able to:

• Describe the underlying processes in molecules that give rise to measurable signals.
• Use and describe how the spectroscopic techniques NMR, IR, Raman and MS work.
• Describe different NMR techniques.
• Describe different ionization techniques and separation methods for ions in mass spectrometry.
• Explain how spectral frequencies relate to molecular structures and vice versa, including the relationship between IR and Raman spectroscopy.
• Apply spectroscopic knowledge to structure elucidation of unknown samples.
• Document and present molecular structural data for known and unknown compounds.
• Select and describe experimental methods and explain how structural information can be obtained.

Dessa bör ligga mycket nära den officiella kursplanen snarare än omformuleras fritt.

Sedan skulle jag lägga till:

Learning perspective

These formal learning outcomes are addressed through three interconnected abilities:

Understand the experiment – understand the physical and chemical processes that generate spectroscopic signals and how these signals are measured.

Interpret the spectrum – relate spectral observations to molecular structure, interactions and behaviour.

Design the spectroscopic strategy – identify what molecular information is required to answer a scientific question and select an appropriate spectroscopic experiment, or combination of experiments, to obtain that information.

The overall progression can therefore be summarized as:

Scientific question → Choice of experiment → Measurement → Data analysis → Chemical interpretation → New hypothesis or experiment

 

 

Link to the syllabus on Studieportalen.

https://www.chalmers.se/en/education/your-studies/find-course-and-programme-syllabi/course-syllabus/KOK032/?acYear=2026/2027

Examination form

Description of how the examination – written examinations and other – is executed and assessed.

Include:

• what components are included, the purpose of these, and how they contribute to the learning objectives
• how compulsory and/or voluntary components contribute to the final grade
• grading limits and any other requirements for all forms of examination in order to pass the course (compulsory components)
• examination form, e.g. if the examination is conducted as a digital examination

• time and place of examination, both written exams and other exams such as project presentations
• aids permitted during examinations, as well as which markings, indexes and notes in aids are permitted

Do not forget to be extra clear with project assignments; what is the problem, what should be done, what is the expected result, and how should this result be reported. Details such as templates for project reports, what happens at missed deadlines etc. are extra important to include.