Molecular Spectroscopy

Course manual 2021/2022

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

• describe the quantum mechanical picture of molecular spectroscopy, in particular transitions between electronic (UV/Vis), vibrational (IR/Raman) and rotational states, as well as nuclear magnetic resonance (NMR).
• interpret the information in a molecular spectrum, and reduce it to the most relevant parameters.
• relate the relevant parameters derived from a spectrum, such as position and shape of peaks, to molecular structure and dynamics in ground states and excited states.
• propose a spectroscopic experiment to obtain specific information on a molecular system, such as the structure, lifetime of the excited state, dynamics, etc.
• determine the structure of organic molecules using optical spectra (UV/Vis and IR absorption) 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 covers the fundamentals of molecular spectroscopy, focussed on electronic, vibrational and rotational spectroscopy. The second partial exam 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 Homework exercises.

All exams will be digital, using uva.sowiso.nl.

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.

Assignments

self-study exercises

• questions to be answered individually for each lecture; evaluation via peer review

Voor en na de colleges worden huiswerkopdrachten gegeven. Deze worden nagekeken door medestudenten nadat de vragen in het hoorcollege zijn besproken. De docenten controleren de kwaliteit van de peer review. Er worden punten gegeven voor de kwaliteit van de ingeleverde opdrachten en voor de kwaliteit van de peer review.

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

Timetable

The schedule for this course is published on DataNose.

Additional information

Aanbevolen voorkennis: Analytische Chemie en Spectroscopie, Organische Chemie en structuuropheldering, Quantumchemie.

Contact information

Coordinator

• prof. dr. A.M. Brouwer

Staff

• dr. H. Zhang