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Course, academic year 2022/2023
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Molecular Symmetry - MC260P08
Title: Molekulová symetrie
Czech title: Molekulová symetrie
Guaranteed by: Department of Physical and Macromolecular Chemistry (31-260)
Faculty: Faculty of Science
Actual: from 2014
Semester: summer
E-Credits: 3
Examination process: summer s.:
Hours per week, examination: summer s.:2/1, Ex [HT]
Capacity: unlimited
Min. number of students: unlimited
Virtual mobility / capacity: no
State of the course: taught
Language: Czech, English
Note: enabled for web enrollment
Guarantor: doc. RNDr. Filip Uhlík, Ph.D.
Annotation -
Last update: doc. RNDr. Jiří Fišer, CSc. (13.06.2014)
Molecular Symmetry

In the first part of this course the necessary mathematical background of molecular symmetry, i.e., group theory, is introduced. The second part deals with the applications of group theory in chemical bonding, vibrational spectra and chemical reactions.
The course is taught in English for ERASMUS students in a consultation form.
Literature -
Last update: doc. RNDr. Filip Uhlík, Ph.D. (07.06.2019)

F.A. Cotton: Chemical Applications of Group Theory. Wiley,1990.

M. Tinkham: Group Theory and Quantum Mechanics. McGraw-Hill, 1964.

S.F.A. Kettle: Symmetry and Structure. Wiley, 1995.

J. Fišer: Introduction to Molecular Symmetry (in Czech). SNTL, 1980.

Requirements to the exam -
Last update: doc. RNDr. Filip Uhlík, Ph.D. (15.10.2020)

Exam consists in written and oral parts. The written part includes three problems: the first one concerns electronic structure of molecules, the second one is related to vibrations of molecules and the third one is related to chemical reactivity. The oral part concerns the fundamentals topics of the course. If necessary, the couse and the exam will have a distant form.

Syllabus -
Last update: ZUSKOVA (28.01.2003)

Some simple applications of molecular symmetry. Groups, subgroups, classes, permutation groups, point groups. Matrix representations. Some basic theorems for irreducible representations. Decomposition of a representation. Direct product representations. Descent in symmetry. Symmetry group of the Hamiltonian. Symmetry adapted wavefunctions. Matrix elements and symmetry. Electronic structure of molecules and symmetry. Group theory and molecular vibrations. Nonrigid molecules. Symmetry and chemical reactions: Wigner-Witmer correlation rules, the non-crossing rule, Woodward-Hoffman rules, frontier orbitals.

 
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