Molecular Spectroscopy

Owner	Bachelor Scheikunde (joint degree)
Coordinator	prof. dr. A.M. Brouwer
Part of	Exchange Programme Faculty of Science, specialisation BSc Chemistry, year 1Bachelor Chemistry (Joint Degree), year 2

Course manual 2018/2019

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 and J. De Paula, 'Physical Chemistry', Oxford Univ. Press, 10th Edition, 2014, ISBN-:78-0-19-969740-3.

• 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

At the end of the course, the student is able to:

• 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). (K)
• interpret the information in a molecular spectrum, and reduce it to the most relevant parameters. (I)
• 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. (An)
• propose a spectroscopic experiment to obtain specific information on a molecular system, such as the structure, lifetime of the excited state, dynamics, etc. (App)
• determine the structure of organic molecules using optical spectra (UV/Vis and IR absorption) and NMR spectra. (App)

(K = knowledge, I = insight, App = application, An = analysis)

Teaching methods

• Hoorcollege
• Werkcollege
• Lecture
• Self-study

Lectures are mixed with exercises. In addition, separate problem solving sessions in smaller groups.

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 BlackBoard.

Assessment

Item and weight	Details
Final grade
1 (50%) Deeltoets 1
1 (50%) Deeltoets 2

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 is required if the average of the two partial exams is insufficient. 

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.

Processed course evaluations

Below you will find the adjustments in the course design in response to the course evaluations.

Contact information

Coordinator

• prof. dr. A.M. Brouwer