URL study guide
https://tue.osiris-student.nl/onderwijscatalogus/extern/cursus?cursuscode=6BAR03&collegejaar=2025&taal=enOmschrijving
Chemical Bonding and Spectroscopy starts with deepening quantum theory. Subsequently basic concepts of molecular orbital theory are discussed and applied to more complex molecules. Vibrational spectroscopy, electronic transitions, and magnetic resonance are dealt with.
1. Quantum theory (energy quantization, wave-particle duality, operators, translational, rotational and vibrational motions)
2. Atomic structure and spectra (hydrogenic and many-electron atoms, atomic spectra, spin-orbit coupling, term symbols, selection rules)
3. Molecular orbital theory (variation principle, Fock operator, Roothaan equations, Hückel approximation, computational chemistry)
4. Molecular symmetry (symmetry operations, group theory, charter tables, applications molecular orbital theory)
5. d-Metal complexes (crystal-field theory, magnetic susceptibility, Jahn-Teller effect, ligand-field theory)
6. Molecular spectroscopy (rotations, vibrations, normal modes and symmetry analysis, basic principles of Fourier transform spectroscopy, electronic spectra, ligand-field and charge-transfer excitations, decay of excited states
7. Magnetic resonance (general principles of nuclear magnetic resonance, electron spin resonance, basic principles of pulsed techniques
Extra information about the assessment
The six digital tests (30 min.) for the interim exam will take place at fixed times during the guided self-study hours via Canvas. Each test will cover the course material presented in the week preceding the test. Out of six results the best five best results will be averaged to the final grade. There are no resits for the digital tests. The results of interim and final tests are only valid in the academic year in which the interim and final tests were taken.
The written exam should have a minimum grade of 5.0, and the weighted average should be at least a 5.5. There is no minimum for the interim exam.
Extra information about the mandatory materials
We will largely follow the book, focus chapter 7-12, only briefly touching on parts that are discussed in 6BBR04, and extending a bit in group theory and d-metal complexes.
Doelstellingen
- The student has profound knowledge of the principles of chemical bonding theory based on quantum mechanics and can apply these to mathematically simple problems.
- The student can apply techniques that are required to make qualitative predictions with respect to the nature and strength of chemical bonds and structures of molecules, including the use of symmetry, based on molecular orbital theory.
- The student has good knowledge of the mathematical formalisms of quantum chemistry and can apply these to provide a molecular orbital description of small molecules.
- The student knows the basic fundamentals and applications of various spectroscopic techniques (rotations, vibrations, electronic transitions, and magnetic resonance) including selection rules for transitions and can interpret spectroscopic results in terms of molecular structure, force constants, energy levels, or spin-spin interactions.