PřF:C5880 Principles of Stereochemistry - Course Information

C5880 Principles of Stereochemistry

Extent and Intensity

2/0/0. 3 credit(s). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

RNDr. Miloš Černík, CSc. (lecturer)
doc. RNDr. Jiří Toužín, CSc. (lecturer)

Guaranteed by

doc. RNDr. Jiří Toužín, CSc.
Chemistry Section – Faculty of Science

Prerequisites

Successful completion of basic courses of inorganic, organic and physical chemistry, basic knowledge of vector and matrix algebra

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 18 fields of study the course is directly associated with, display

Course objectives

The lecture cover description of chemical bonding and basic principles of stereochemistry of inorganic and organometallic compounds. Symmetry properties (including group theory principles) of molecules, crystals and chain and sheet polymers are involved.

Syllabus

• Symmetry properties of the molecules: geometric transformations, symmetry elements and operations, equivalent symmetry elements and equivalent atoms, matrix notation for geometric transformations, transformation matrices and their characters. Theorems of group theory: the definition of group, group order, sub- and supergroups, similarity transformation, conjugate elements, classes, isomorphous groups. The symmetry point groups: symmetry operations as elements of symmetry point groups, products of symmetry operations, systematic symmetry classification of molecules. Matrix representation of point groups: reducible and irreducible representations, character tables and their use, reduction of reducible representations, direct product of irreducible representations, correlation tables. Symmetry of chain and sheet polymers: screw axis and glide planes, one-dimensional lattice, translation groups, chain symmetry and line groups, factor groups, symmetry of two-dimensional species, plane grous. Crystal symmetry: three-dimensional lattices and crystal systems, the primitive cell, 14 Bravais lattices, 32 crystal classes, three--dimensional space groups and their subgroups, site symmetry and equivalent positions, orientationally disordered structures, hypersymmetry. Electronic structure of free atoms and ions: quantum numbers of many-electron atoms, symmetry properties of atomic orbitals, parameters of covalent chemical bond, ionic character of covalent bond. Valence--bond (VB) theory: valence states, hybridisation, hybridisation schemes for sigma-orbitals, hybridisation schemes for pí-orbitals, hybrid orbitals as linear combinations of atomic orbitals. Ligand field (LF) theory: splitting of levels and terms in chemical environment (Oh, Td, D4h), construction of energy level diagrams, Jahn-Teller theorem, spectral properties and magnetic properties of complexes, the ionic radii of transition metals, thermodynamic and kinetic consequences of d-orbitals splitting. Molecular orbital (MO) theory: secular equation, the Hűckel approximation, homocyclic pí-systems, open-chain pí-systems, three-centre bonding, metalocenes, applicability of VB, LF and MO theories. Chemical isomerism: definition and chemical significance of isomerism, classification of isomerism, structural isomerism and stereoisomerism, isomerism in coordination compounds, isomerisation reactions, stereospecific substitution, trans-effect. Optical isomerism: asymmetry and dissymmetry, chirality, enantiomorphism and optical activity, racemization reactions, molecules with more than one asymmetric center, diastereoisomers, absolute configuration, optical rotatory dispersion and circular dichroism. Conformational isomerism: rotational isomerism of acyclic compounds, gauche-effect, atropoisomerism, conformational isomerism of cyclic compounds. Shapes and geometries of molecules: the VSEPR model and the shapes of main group molecules, ligand site preferences, pí-bonding and geometry, geometrical consequences of non-bonded interactions, stereochemically nonrigid and fluxional molecules, structure differences in free and crystalline molecules. Stereochemistry of complex compounds: geometries of coordination compounds, structure of inorganic polymers, polyhedral molecular geometries, boron hydride cages, metal cluster compounds.

Literature

• TOUŽÍN, Jiří and Miloš ČERNÍK. Základy stereochemie anorganických sloučenin. 1. vyd. Praha: Státní pedagogické nakladatelství, 1985, 246 s. info
• FIŠER, Jiří. Úvod do molekulové symetrie : aplikace teorie grup v chemii. 1. vyd. Praha: Státní nakladatelství technické literatury, 1980, 287 s. URL info
• Úvod do stereochemie anorganických sloučenin. Edited by Lubor Jenšovský. 1. vyd. Praha: Státní nakladatelství technické literatury, 1979, 165 s. URL info

Assessment methods (in Czech)

Výuka formou přednášky, ústní zkouška

Language of instruction

Czech

Further Comments

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

• Enrolment Statistics (Autumn 2001, recent)
  
• Permalink: https://is.muni.cz/course/sci/autumn2001/C5880