SubjectsSubjects(version: 949)
Course, academic year 2023/2024
Structure and Properties of Molecules - AM403030
Title: Structure and Properties of Molecules
Guaranteed by: Department of Physical Chemistry (403)
Faculty: Faculty of Chemical Engineering
Actual: from 2019
Semester: summer
Points: summer s.:6
E-Credits: summer s.:6
Examination process: summer s.:
Hours per week, examination: summer s.:3/1, Ex [HT]
Capacity: unlimited / unlimited (unknown)
Min. number of students: unlimited
Language: English
Teaching methods: full-time
Teaching methods: full-time
For type: Master's (post-Bachelor)
Guarantor: Matějka Pavel prof. Dr. RNDr.
Last update: Matějka Pavel prof. Dr. RNDr. (21.02.2018)
The course comprises fundamental terms related to structure and properties of molecules. Furthermore, the course brings a survey of basic concepts of molecular symmetry, electron structure, vibrational and rotational degrees of freedom, corresponding types of molecular spectra and related structural parameters. Moreover, the role of inner electrons is demonstrated. The relationships of both electron spin techniques and NMR spectroscopy including advanced multidimensional experiments to molecular structure and properties are discussed.
Aim of the course
Last update: Matějka Pavel prof. Dr. RNDr. (21.02.2018)

Students will be able to:

Describe the structure of molecules at the static level of equilibrium nuclei positions, electron structure and dynamic description considering vibrational and rotational states.

Explain the fundamental concepts of molecular symmetry.

Apply the concept of point group symmetry on the explanation of structure and properties of molecules.

Explain the fundamentals of techniques suitable for molecular structure ellucidation.

Literature -
Last update: Matějka Pavel prof. Dr. RNDr. (21.02.2018)

R: Handbook of Spectroscopy, Editor(s): Prof. Dr. Guenter Gauglitz, Prof. Dr. Tuan Vo-Dinh, Wiley-VCH 2003, Print ISBN: 9783527297825 Online ISBN: 9783527602308 DOI: 10.1002/3527602305

R: P.R. Bunker, P. Jensen: Fundamentals of Molecular Symmetry, IOP Publishing, 2004, ISBN 0750309415

A: P. W. Atkins: Physical Chemistry, Oxford University Press, 2006, ISBN 1-4292-3127-0

Syllabus -
Last update: Matějka Pavel prof. Dr. RNDr. (21.02.2018)

1. Molecular symmetry: principles of the group theory.

2. Molecular symmetry: point groups.

3. Molecular symmetry: matrix representation of a group, irreducible representations.

4. Molecular symmetry: symmetry of orbitals.

5. Introduction to spectroscopy: types of spectra, transition moment, scattering (Raman) spectra.

6. Rotational spectra: selection rules, calculations of molecular geometry, the Stark effect.

7. Vibrational spectra of diatomic molecules: selection rules, vibrational-rotational interactions, anharmonical vibrations.

8. Vibrational spectra of general molecules: FG-analysis.

9. Symmetry of normal vibrations.

10. Electronic spectra: selection rules, Franck-Condon principle.

11. X-ray spectra, photoelectron spectroscopy.

12. The Zeeman effect, ESR.

13. NMR, the shielding effect, chemical shift, spin-spin interaction.

14. NMR, pulse sequences, multidimensional experiments and spectra.

Course completion requirements
Last update: Matějka Pavel prof. Dr. RNDr. (21.02.2018)

It is compulsory to pass a written test and final oral examination.

Teaching methods
Activity Credits Hours
Konzultace s vyučujícími 1 28
Účast na přednáškách 1.5 42
Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi 1.5 42
Příprava na zkoušku a její absolvování 1.5 42
Účast na seminářích 0.5 14
6 / 6 168 / 168