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Last update: RENA (31.01.2003)
4rd year, summer semestr Atomic structure, atomic orbitals, independent particle model, atomic spectra. Chemical bonds in diatomics molecules, VB method, MO theory, symmetry, MO and photoelectron spectroscopy, ionic bonds. Electronic structure of polyatomic molecules, localized and delocalized MO´s, molecular geometry. |
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Last update: SRBA (19.08.2002)
Literatura: Fišer J., Zemánek F.: Struktura látek (atomy, molekuly,krystaly), Karolinum, Praha 1993 |
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Last update: RENA (31.01.2003)
Chemical structure (education of secondary school teachers) 4th year, winter semestr, lec. 30 hrs, sem. 15 hrs. Atomic structure, atomic orbitals, independent particle model, atomic spectra. Chemical bonds in diatomics molecules, VB method, MO theory, symmetry, MO and photoelectron spectroscopy, ionic bonds. Electronic structure of polyatomic molecules, localized and delocalized MO´s, molecular geometry, Hűckel MO method, crystal and ligand field theory, intermolecular forces, chemical bonds in solids, orbital theory in chemical reactions. Molecular structure and spectroscopy, absorption and emision spectra. Pure rotational spectra, rigid and nonrogid rotor, microwave spectra and molecular geometry. Linear harmonic oscilator and anharmonic oscilator, vibrational-rotational spectra of diatomics. Vibrations of polyatomic molecules, infrared spectra and molecular structure. Raman spectra . Electronic spectra, chromophores, fluorescence and fosforescence. Stimulated emision of radiation, lasers. NMR spectra, ESR spectra. Mösbauer spectroscopy, mass spectroscopy. Difraction methods and the determination of structure. Optical rotatory dispersion and circular dichroism. Lecturer: RNDr. František Zemánek References: Atkins P.W., 1995, Physical Chemistry, Oxford University Press, Oxford. Fišer J., Zemánek F., 1994, Struktura látek (atomy, molekuly, krystaly), Universita Karlova, Praha. Chemical structure (syllabus, course for future chemistry teachers) lecture 2 hrs/week, seminar 1 hr/week, 3th year, summer semestr
1. Quantum mechanics and atomic structure. The Schrödinger equation and the wave function, atomic orbitals and their graphical representation. Independent particle model, Aufbau principle, atomic spectrum. Ionozation energy, electron affinity, electronegativity, atomic radius.
2. Chemical bonds in diatomic molecules. Born-Oppenheimer approximation, variation principle. Valence-bond method, hydrogen molecule. Molecular orbital theory, homonuclear diatomics. Symmetry elements and symmetry operations. Classification of molecular orbitals. Heteronuclear diatomics and ionic bonds.
3. Electronic structure of polyatomic molecules. Localized and delocalized MO, the MOLCAO method, hybridization. Electronic structure and molecular geometry, the VSEPR method. Delocalized bonds, compounds of inert gases, water molecule, Walsh diagrams. Hückel MO method. Electronic structure and geometry of coordination compounds. Symmetry of complex ions, crystal field and ligand field theory. Van der Waals forces and hydrogen bond. Conservation of orbital symmetry in chemical reactions.
4. Chemical bonds in solids. Amorphous and crystalline solids, bond types in crystals. Ionic and covalent crystals. Metalic bond, metals and semiconductors. Molecular crystals, structures with several types of bonds.
5. Molecular structure and molecular spectroscopy. The electromagnetic radiation and its interaction with molecules. Absorption and emission spectra, population of the excited states, selection rules. Pure rotational spectra, rigid and non rigid rotor, microwave spectra and molecular geometry. Vibrations of diatomoic molecules, linear harmonic oscilator and anharmonic oscilator, vibrational-rotational spectra of diatomics. The Raman effect, vibrational-rotational Raman spectra of diatomic molecules. Vibrations of polyatomic molecules., normal modes of vibration. Infrared spectra and molecular structure. Vibrational Raman spectra. Electronic spectra, vibrational and rotational structure of the electronic spectra of diatomics. The Franck-Condon principle. Types of electronic transitions in polyatomic molecules. Chromophores, auxochromic effect. The fate of the electronicaly excited states, radiative and nonradiative processes. Fluorescence and phosphorescence, fluorescence spectra. Photoelectron spectroscopy, UPS and XPS. Stimulated emission of radiation, population inversion. Lasers: the ruby laser, the He-Ne laser, the dye, chemical and excimer lasers. NMR spectra, chemical shift, spin-spin interaction, relaxation processes, NMR spectra and molecular structure. ESR spectra, the g-value, hyperfine splitting. Mössbauer spectroscopy. Mass spectroscopy. Diffraction methods and the determination of molecular structure.
6. Properties of molecules. Electric properties, polarization of dielectrics, induced and orientation polarization. Electric dipole moment and molecular structure. Magnetic properties, diamagnetism, paramagnetism and ferromagnetism. Optical properties, optical activity, rotatory dispersion and circular dichroism.
References: Atkins P.W., 1995, Physical Chemistry, Oxford University Press, Oxford. Fišer J., Zemánek F., 1994, Struktura látek, Univerzita Karlova, Praha.
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