Molecular Spectroscopy

Course manual 2024/2025

Course content

The course covers the principles and applications of molecular spectroscopy in chemistry. It consists of two interrelated parts: (1) Fundamentals of molecular spectroscopy and (2) Applications of molecular spectroscopy for structure elucidation.

The first part comprises: interaction of electromagnetic radiation with molecules, symmetry, transition moments and selection rules; principles of rotational, vibrational (IR) and electronic spectroscopy (UV/Vis); techniques of absorption and emission spectroscopy; time-resolved spectroscopy and ultrafast and nonlinear spectroscopic techniques, laser techniques. In the second part the basic theory of Fourier Transform Nuclear Magnetic Resonance (NMR) is discussed, and 1D and 2 NMR techniques will be applied together with optical spectroscopic methods (UV/Vis and IR) for identification of the structure of unknown organic molecules. Occasionally, mass spectra will be used (assumed known).

Study materials

Literature

• P.W. Atkins, J. De Paula and J. Keeler, 'Physical Chemistry', Oxford Univ. Press, 11th Edition, 2018, ISBN 978-0-19-876986-6.

• D.L. Pavia, G.M. Lampman, G.S. Kriz and J.R. Vyvyan, 'Introduction to Spectroscopy', 5th edition, CENGAGE, 2015, ISBN 978-1-285-46012-3.

Software

• ChemDraw

Objectives

• The student is able to explain the quantum mechanical basis of molecular spectroscopy, in particular electronic (UV/Vis), vibrational (IR/Raman) and rotational states and transitions, as well as nuclear magnetic resonance (NMR).
• The student is able to derive chemical information from a molecular spectrum, and relate the relevant parameters to molecular structure and dynamics in ground states and excited states.
• The student is able to propose a spectroscopic experiment to obtain specific information on a molecular system, such as the structure, excited-state lifetimes, and dynamics.
• The student is able to determine the structure of organic molecules using UV/Vis, IR and NMR spectra.

Teaching methods

• Lecture
• Self-study
• homework assignments and peer review

Lectures are mixed with exercises. In addition, separate problem solving sessions in smaller groups. Home work assignments are given, which are peer reviewed.

Learning activities

Attendance

Programme's requirements concerning attendance (OER-B):

• Active participation is expected of each student in the course for which he is registered.
• If a student cannot attend an obligatory part of a programme's component due to circumstances beyond his control, he must report in writing to the teacher in question as soon as possible. The teacher, if necessary after consulting the study adviser, may decide to issue the student a replacing assignment.
• It is not allowed to miss obligatory parts of the programme's component if there is no case of circumstances beyond one's control.
• In case of participating qualitatively or quantitatively insufficiently, the examiner can expel a student from further participation in the programme's component or a part of that component. Conditions for sufficient participation are fixed in advance in the study guide and/or on Canvas.

Assessment

The first partial exam (Deeltoets 1) covers the fundamentals of molecular spectroscopy, focussed on electronic, vibrational and rotational spectroscopy. The second partial exam (Deeltoets 2) is about NMR spectroscopy and the application of spectroscopic methods to structure elucidation. The resit covers all subjects and the grade of that will replace BOTH partial exam grades, but not the grades for the assignments and Homework exercises.

All exams will be digital, using ans.app. The ChemDraw program will be used in Deeltoets 2 and the hertentamen. The book of Pavia can be consulted for reference material during Deeltoets 2 and the resit. No other books or notes can be used during the exams!

After the exam has been graded, students can inspect their assessed work on-line.

Homework exercises will be made (pre-test and post-test) and are primarily assessed via peer review. The quality of the peer review will be monitored. Note that this is individual work that contributes to the final grade of the course, and we will not accept identical or very similar answers from different students.

For the calculation of the final grade the results of the pre-lecture questions and Homework of part 1 are collected on Canvas in Assignments Part 1, and the assignments of Part 2 are collected in Assignments Part 2.

Inspection of assessed work

Inspection of the assessed work on ans.app. 

Assignments

Before and after each lecture there are homework. Your pre-lecture exercises will be reviewed by one of your classmates and  these exercises will be discussed in class. All the homework and the reviews of the pre-lecture exercises will be graded by the lecturers. Details of the assignments can be found on Canvas.

Fraud and plagiarism

The 'Regulations governing fraud and plagiarism for UvA students' applies to this course. This will be monitored carefully. Upon suspicion of fraud or plagiarism the Examinations Board of the programme will be informed. For the 'Regulations governing fraud and plagiarism for UvA students' see: www.student.uva.nl

Course structure

Additional information

Recommended prior knowledge:  Quantum chemistry and Organic chemistry.

Contact information

Coordinator

• prof. dr. A.M. Brouwer

Staff

• dr. H. Zhang