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Last update: RNDr. Jana Rubešová, Ph.D. (23.05.2003)
The aim of the course is to present the fundamental principles of the electronic structure of atoms, molecules and chemical bonding and to give a brief discussion of the background of experimental methods which are useful for study of molecular structure. It is assumed that the student is acquainted with the basic concepts of quantum mechanics. |
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Last update: RNDr. Jana Rubešová, Ph.D. (23.05.2003)
P.W. Atkins: Physical Chemistry, 5th ed. ch. 12-22. OUP 1994.
W.J. Moore: Fyzikální chemie. SNTL, 1981.
J. Fišer a F. Zemánek: Struktura látek. Karolinum, 1994.
S.R. Berry, S.A. Rice and J. Ross: Physical Chemistry, 2nd Ed. OUP, 2000. |
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Last update: doc. Dr. rer. nat. Jiří Pittner, DSc. (16.12.2011)
Zkoušku z chemické struktury může skládat student, který má zápočet ze cvičení. Požadavky ke zkoušce jsou dány sylabem. Alternativně je možné složit zkoušku i na základě dvou úspěšně napsaných testů v rámci cvičení s výsledkem 90%. |
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Last update: RNDr. Jana Rubešová, Ph.D. (23.05.2003)
Electronic structure of atoms and molecules: Schrödinger equation, atomic orbitals, vector model of atoms, term symbol, atomic spectra. Valence bond method, molecular orbital theory. Self-consistent field theory. Hybrid orbitals. Hückel method. Ligand field theory. Van der Waals forces and hydrogen bond. Chemical bonds in solids. Conservation of orbital symmetry in chemical reactions. Introduction to molecular structure and spectroscopy: Interaction of electromagnetic radiation with molecules. Rotational, vibrational and vibration-rotation spectra of diatomic molecules. Rotations and vibrations of polyatomic molecules. Raman spectra. Electronic spectra. The fate of electronically excited states. Luminiscence spectra. Photoelectron spectroscopy. Lasers. NMR and ESR spectra. Mass spectrometry. Diffraction methods. Optical rotatory dispersion and circular dichroism. |