| Course title | Chemical Structure and Spectroscopy |
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| Course code | UCH/119 |
| Organizational form of instruction | Lecture + Lesson |
| Level of course | Bachelor |
| Year of study | 3 |
| Frequency of the course | In each academic year, in the winter semester. |
| Semester | Winter |
| Number of ECTS credits | 4 |
| Language of instruction | Czech |
| Status of course | Compulsory, Compulsory-optional |
| Form of instruction | Face-to-face |
| Work placements | This is not an internship |
| Recommended optional programme components | None |
| Lecturer(s) |
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| Course content |
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Content of lectures: The basic postulates of quantum mechanics ( wave function and probability density, physical quantity and hermitian operators , eigenvalues and functions , Dirac notation, the operators of position , momentum and energy , Hamiltonian, stationary Schroedinger equation , orbital and spin angular momentum ) One electron systems (particles in the potential well, harmonic oscillator , particle in a spherically symmetric potential field , atomic orbitals , ionization potential , Bohr frequency condition , selection rules ) Electronic structure of many-electron systems ( Approximate solutions of Schrodinger equation model of -independent electrons , Born- Oppenheimer approximation , build-up principle , Pauli principle , Hund's rule , Slater determinant , variational principle, Russell Sanders - binding , jj coupling , spectral symbolism , Hartee - Fock method of electronic structure calculations ) Chemical bond between two atomic molecules (Heitler - London method valence bonds , MO LCAO , electronic states of diatomic molecules , selection rules , a water molecule , the electronic structure of conjugated moleculles , Huckel method) Potential energy surface ( global, local minima , transition state , methods of finding , optimization algorithms Weak intermolecular interactions ( van der Waals bond , hydrogen bond ) Spectroscopy ( rotational and vibrational spectra of diatomic molecules , vibration of many-atomic molecules , IR spectroscopy , Raman spectroscopy , electron spectroscopy , fluorescence spectroscopy , NMR , ESR , circular dichroism , lasers , photochemistry ) Electric and magnetic properties of molecules ( dipole moment , polarization , refractive index , diamagnetism , paramagnetism). Content of practicals: in accordance with the lectures.
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| Learning activities and teaching methods |
Monologic (reading, lecture, briefing), Dialogic (discussion, interview, brainstorming)
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| Learning outcomes |
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The extension of knowledge of the students in area of quantum theory, chemical bonding and spectrosopy.
Basic knowledge in the field of quantum mechanics , theoreticla background of spectroscopic methods |
| Prerequisites |
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Successful pass of general Chemistry exam
UCH/121 and UCH/104 ----- or ----- UCH/121 |
| Assessment methods and criteria |
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Oral examination, Written examination, Seminar work
Successful pass of both oral and written part of the exam, presentation, 75% attendance of exercises |
| Recommended literature |
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| Study plans that include the course |
| Faculty | Study plan (Version) | Category of Branch/Specialization | Recommended semester |
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