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Course, academic year 2022/2023
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Chemical structure (b) - MC260P11M
Title: Chemická struktura (b)
Czech title: Chemická struktura (b)
Guaranteed by: Department of Physical and Macromolecular Chemistry (31-260)
Faculty: Faculty of Science
Actual: from 2019
Semester: winter
E-Credits: 4
Examination process: winter s.:
Hours per week, examination: winter s.:2/1 [hours/week]
Capacity: unlimited
Min. number of students: unlimited
Virtual mobility / capacity: no
State of the course: taught
Language: Czech
Guarantor: doc. RNDr. Filip Uhlík, Ph.D.
Incompatibility : MC260P09, MC260P11N
Is incompatible with: MC260P11N, MC260P09
Annotation -
Last update: doc. RNDr. Filip Uhlík, Ph.D. (19.04.2018)
Chemical structure

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.
Literature -
Last update: doc. RNDr. Filip Uhlík, Ph.D. (07.06.2019)

main literature

P. W. Atkins: Molecular Quantum Mechanics

supplementary literature

P. W. Atkins: Physical Chemistry (5.+ vydání)
I. N. Levine: Physical Chemistry (6.+ vydání)
D. McQuarrie, J. Simon: Physical Chemistry: A Molecular Approach
I. N. Levine: Quantum Chemistry & Molecular Spectroscopy
B. Thaller: Visual Quantum Mechanics
R. P. Feynman: The Feynman's Lectures on Physics

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

Exam is written with a possible supplementary oral part. The credit for exercices is given for elaboration of homeworks and final written test. If necessary, the couse and the exam will have a distant form.

Syllabus -
Last update: doc. RNDr. Filip Uhlík, Ph.D. (19.04.2018)

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.

 
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