NKEK22001U Advanced Vibrational Spectroscopy

Volume 2023/2024

MSc Programme in Chemistry


This course will describe aspects of both experimental and theoretical advanced vibrational and rotational spectroscopy. It will consider mainly gas phase spectroscopy but with links to jet expansion and matrix techniques. The focus will be on the use of these spectroscopies to gain information of the underlying physical chemistry and spectroscopic identification. Quantum chemical calculations will be used as a tool to explain and predict spectra. Theory of molecular vibration within the normal and local mode model will be covered. Experimental techniques used to observe vibrational transitions including the weak overtone transitions associated with the highly vibrational excited molecules will be explained. The main aim is that student will be able to critically read literature in the areas covered.

Learning Outcome

Theory of rotational and vibrational transitions.
The different experimental techniques used in gas phase spectroscopy. Some typical acronym: IR and Raman will be understood.
Experience with analyzing experimental IR and Raman measurements and the use of quantum chemical calculations to facilitate this.

Describe different techniques, instruments and the theory behind them.

Be able to critically read papers in current international physical chemistry journals.
Assess the usefulness of different spectroscopic techniques to solve different research questions.

Apply the theoretical knowledge and analytical skills.

Sections from the following Text books:
Physical Chemistry by P. Atkins and J. de Paula, Ninth Edition, OUP, 2010.
Molecular Spectroscopy by Ira N Levine, Wiley and Sons, 1975.
Quantum Chemistry by Ira N Levine, Prentice Hall, 1991.

In addition journal articles (about 10) and lectures notes will be handed out.

Details will apear on absalon.

Basic competencies in mathematics, physical chemistry, quantum chemistry and spectroscopy are necessary. Quantum chemistry calculations will be used.

Academic qualifications equivalent to a BSc degree is recommended.
A mix of lecturers, tutorials/group discussions, and student presentation of a topic or a specific journal article.
The course is identical to the first part of the discontinued courses NKEK10004U Advanced Physical Chemistry and NKEK21001U - Advanced Molecular Spectroscopy. Therefore you cannot register for Advanced Vibrational Spectroscopy, if you have already passed NKEK10004U Advanced Physical Chemistry or NKEK21001U - Advanced Molecular Spectroscopy.
  • Category
  • Hours
  • Lectures
  • 42
  • Preparation
  • 96
  • Theory exercises
  • 56
  • Practical exercises
  • 11
  • Exam
  • 1
  • Total
  • 206
Continuous feedback during the course of the semester
Feedback by final exam (In addition to the grade)
7,5 ECTS
Type of assessment
Oral examination, 30 min (no preparation time)
Type of assessment details
The student will be given a paper and a question at the oral exam. During the exam the student should present the paper and discuss the question. The paper is one of the papers that have been discussed during the course.
All aids allowed
Marking scale
7-point grading scale
Censorship form
No external censorship
Several internal examiners

Same as ordinary exam

Criteria for exam assesment

See Learning Outcome