PřF:C6310 Molecular And Crystal Symmetry - Course Information

C6310 Molecular And Crystal Symmetry

Extent and Intensity

2/0/0. 2 credit(s) (plus extra credits for completion). Type of Completion: zk (examination).
In-person direct teaching

Teacher(s)

doc. Mgr. Marek Nečas, Ph.D. (lecturer)

Guaranteed by

doc. Mgr. Marek Nečas, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Prerequisites

No prerequisite or concurrent.

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 25 fields of study the course is directly associated with, display

Course objectives

The aim of the course is to provide understanding of the concepts of molecular and crystal symmetry, symmetry point groups and plane groups, and their applications in vibrational spectroscopy, chemical bond theory, and crystallography.

Learning outcomes

Upon completing this course, students will be able: to determine the point group of symmetry for a given molecule; to find a reducible representation and decompose it into its irreducible components; to solve problems in vibrational spectroscopy using character tables; to identify symmetry elements in two-dimensional repeating patterns and assign them plane symmetry groups.

Syllabus

• 1. Introduction: symmetry in natural sciences including history
  2. Symmetry elements and operations. Symmetry contingent molecular properties.
  3. The point symmetry groups, classification of molecules.
  4. Group, the defining properties, the multiplication table, subgroup, class.
  5. Irreducible representations and their characters.
  6. Matrix representations of groups, characters.
  7. Character tables of irreducible representations. Relationships between reducible and irreducible representations. Degeneracy.
  8. Symmetry of molecular vibrations.
  9. Applications to chemical bonding.
  10. Zero and non-zero values of integrals. Selection rules in spectroscopy.
  11. Periodicity in one, two, and three dimensions. Structure, lattice, and unit cells.
  12. Symmetry of five plane lattices. Crystallographic point groups, plane symmetry groups. Glide planes and screw axes.

Literature

recommended literature
• ATKINS, P. W. and Julio DE PAULA. Fyzikální chemie. Vyd. 1. Praha: Vysoká škola chemicko-technologická v Praze, 2013, xxvi, 915. ISBN 9788070808306. info
• WILLOCK, David J. Molecular symmetry. 1st ed. Chichester: Wiley, 2009, xii, 426. ISBN 9780470853481. info
• Cotton, Frank Albert. Chemical Applications of Group Theory, 3rd Edition, John Wiley & Sons; ISBN: 0471510947
• KETTLE, S. F. A. Symmetry and structure : readable group theory for chemists. 3rd ed. Chichester: John Wiley & Sons, 2007, viii, 426. ISBN 9780470060391. info
• TILLEY, R. J. D. Crystals and crystal structures. Chichester: John Wiley & Sons, 2006, xiii, 255. ISBN 0470018208. info
• GIROLAMI, Gregory S. X-ray crystallography. Mill Valley: University Science Books, 2016, xii, 500. ISBN 9781891389771. info

not specified
• HARGITTAI, István and Magdolna HARGITTAI. Symmetry through the eyes of a chemist. 2nd ed. New York: Plenum Press, 1995, xii, 496 s. ISBN 0-306-44852-1. info

Teaching methods

Twelve lectures with exercises.

Assessment methods

Written exam.

Language of instruction

Czech

Further Comments

The course is taught annually.
The course is taught: every week.

• Enrolment Statistics (recent)
  
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