KE503: Symmetry (5 ECTS)

STADS: 10000401

Level
Bachelor course

Teaching period
The course is offered in the autumn semester.
2nd quarter .

Teacher responsible
Email: frj@ifk.sdu.dk

Timetable
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Comment:
20.09.2006: Hold S2 nedlagt.

Prerequisites:
None

Academic preconditions:
KE501 Fundamental Chemistry, MM501 Calculus I, MM502 Calculus II and BMB501 Biomolecular chemistry must be passed, and KE504 Analytical spectroscopy is recommended.

Course introduction
The aim of the course is to introduce the students to the use of symmetry within chemistry, especially with a view to description of the electron structures and spectroscopic properties of molecules. The course will focus on a detailed study of the group theory as well as its consequences for the molecular properties. The course will form the basis of subsequent courses in quantum chemistry, inorganic chemistry and spectroscopy.

Qualifications
The students will get a detailed treatment of the group theory. Afterwards, they must be able to independently apply this tool in relevant contexts, including

• Determine the point groups of molecules
• Determine irreducible representations for a given set of atomic orbitals and nuclear coordinates
• Determine symmetry-adjusted linear combinations of atomic orbitals
• Determine vibrational normal coordinates
• Apply symmetry selection rules for predicting absorption spectra in NMR, IR, Raman and UV-VIS spectroscopy
• Introduction to space groups and periodic systems

Expected learning outcome


Subject overview
The following subjects will be treated and discussed:

1. Symmetry operations, determination of point groups;
2. Matrix representations;
3. Reducible and irreducible representations;
4. Characters;
5. Use of characters for determination of symmetry-adjusted functions;
6. Orthogonalisation and normalization of functions;
7. Direct product;
8. Conditions for integrals being different to zero;
9. Spectroskopic selection rules;
10. NMR spectra (A2, AB, AX spin systems);
11. Vibrational spectra (IR, Raman);
12. UV-VIS spectra (metal complexes);
13. Space groups;

Use of computers for determination of normal coordinates and NMR spectra will be illustrated by two exercises of each three hours.

Literature
There isn't any litterature for the course at the moment.

Website
This course uses e-learn (blackboard).

Prerequisites for participating in the exam
None

Assessment and marking:
Approval of three sets of compulsory reports, passed / not passed. Internal evaluation by the teacher. A 3-hour written examination with books and notes of your own choice as well as pocket calculator. Marks according to the Danish 13-point marking scale. Internal examiner.

Expected working hours
The teaching method is based on three phase model.

Undervisningen vil bestå af forelæsninger (14 timer), som suppleres med eksaminatorier (28 timer) og computerøvelser (2x3 timer).
Educational activities

Language
This course is taught in Danish.

Course enrollment
See deadline of enrolment.

Tuition fees for single courses
See fees for single courses.