Foundations of Molecular Spectroscopy 1200-1PSPEW4
1. The electromagnetic spectrum. Classification of spectroscopic transitions. Born – Oppenheimer approximation – energy levels of the molecules. The Boltzmann distribution. Characteristics of the spectral bands. Probability of spectral transitions – selection rules.
2. Spectrophotometric measurements. Dispersion and Fourier Transform spectrophotometers.
3. Microwave rotational spectroscopy. Rotation of rigid diatomic rotator and its rotational spectrum, comparison with experiment. Selection rules. Intensity distribution in rotational spectrum. Application of microwave rotational spectrum for determination of molecular structure.
4. Vibrational spectroscopy. Diatomic harmonic and anharmonic oscillator and their energy levels. Polyatomic molecules – normal vibrations. Concept of characteristic vibrations. Infrared instrumentation. Vibrational Raman effect – classical and quantum model of Raman scattering. Selection rules in infrared and Raman spectra. Infrared vs. Raman spectrum. Raman spectrophotometers. Applications of IR and Raman spectroscopy.
5. UV/Vis spectroscopy. Electronic states of homonuclear diatomic molecules. Molecular terms and selection rules for electronic transitions. Vibrational structure of electronic transitions. Franck – Condon rule. Electronic spectra of polyatomic molecules – classification of spectral transitions. Emission spectra.
6. Nuclear magnetic resonance. Energy levels of magnetic nuclei in external magnetic field. Resonance condition. Magnetic shielding of the nuclei, chemical equivalence of the nuclei, chemical shift. Spin-spin coupling. Applications of NMR in chemistry.
7. Electron paramagnetic resonance. Paramagnetic centres. Energy levels of electron magnetic moment in external magnetic field. Resonance condition. Parameter g . Hyperfine structure of EPR signals. Applications of EPR in chemistry.
Type of course
Mode
Requirements
Prerequisites
Prerequisites (description)
Learning outcomes
Student should be able to explain theoretical backround of the main spectroscopic methods, interpret simple optical and NMR spectra and select appropriate spectroscopic technique to solve particular chemical problem.
Assessment criteria
Final examination carried out as a written test containing multiple selection questions, blank-filling questions and simple computational exercises.
Practical placement
None
Bibliography
In English:
1. Peter F.Bernath, Spectra of atoms and Molecules, Oxford University Press, 1995
2. Engel T., Quantum Chemistry and Spectroscopy, Pearson, 2006
3.Peter William Atkins, Physical Chemistry, Oxford University Press, Oxford 1998.
In Polish:
1. Peter William Atkins, Chemia fizyczna, Wydawnictwo Naukowe PWN, W-wa 2003.
2. Zbigniew Kęcki, Podstawy Spektroskopii, PWN, 1998
3. Joanna Sadlej, Spektroskopia molekularna, Wydawnictwa Naukowo-Techniczne, W-wa 2002.