Course: Chemical Structure and Spectroscopy

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Course title Chemical Structure and Spectroscopy
Course code UCH/119
Organizational form of instruction Lecture + Lesson
Level of course Bachelor
Year of study not specified
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
Form of instruction Face-to-face
Work placements This is not an internship
Recommended optional programme components None
Lecturer(s)
  • Kabeláč Martin, doc. Mgr. Ph.D.
Course content
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.

Learning activities and teaching methods
Monologic (reading, lecture, briefing), Dialogic (discussion, interview, brainstorming)
  • Preparation for classes - 40 hours per semester
  • Preparation for exam - 40 hours per semester
  • Class attendance - 40 hours per semester
Learning outcomes
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
Successful pass of general Chemistry exam

Assessment methods and criteria
Oral examination, Written examination, Seminar work

Successful pass of both oral and written part of the exam, presentation, 75% attendance of exercises
Recommended literature
  • Fyzikální chemie P. Atkins, J. de Paula, ČVUT Praha 2013.
  • Fyzikální chemie -Struktura hmoty P. Pelikán a kol. Vutium Brno 2000.
  • Atkins, P. , De Paula , J. Fyzikální chemie. VŠCHtr Praha, 2013.
  • Novák, J. Fyzikální chemie- bakalářský kurs. VŠCHT, Praha, 2008.


Study plans that include the course
Faculty Study plan (Version) Category of Branch/Specialization Recommended year of study Recommended semester
Faculty: Faculty of Science Study plan (Version): Chemistry (1) Category: Chemistry courses 3 Recommended year of study:3, Recommended semester: Winter