Molecular Spectroscopy A 1200-2EN-MSLE1M
The lecture is aimed at:
a) systematic presentation of knowledge necessary for informed application of spectroscopic methods in chemistry
b) making the student acquainted with theoretical basics of the most important methods of molecular spectroscopy
c) making the student acquainted with methodology of spectroscopic experiments and interpretation of the spectra.
The introductory part will be a reminder course in the properties of electromagnetic radiation and in the basics of quantum chemistry (quantization of electronic, vibrational and rotational energy of a molecule). Next, the relation between the structure of molecular energy levels and the form of absorption, emission and Raman spectrum will be explained. The next lectures will be focused on the following spectroscopic techniques. Rotational spectroscopy – energy levels of a two-atomic rigid rotator, rotations of polyatomic molecules, microwave spectrum and rotational Raman effect. Vibrational spectroscopy – harmonic and anharmonic oscillator, energy levels and wave functions of two-atomic harmonic oscillator, normal vibrations, IR and vibrational Raman spectra, rotational-vibrational spectra – selection rules, Fourier transformation. Resonance Raman effect. Electronic spectra: selection rules, vibrational and rotational structure of electronic spectra, determination of dissociation energy from electronic spectra, luminescence spectra. Photoelectron spectroscopy – the basics of XPS, UPS and Auger spectroscopy. Electron spin resonance (ESR) – energy quantum levels of electron in external magnetic field, g factor, hyperfine structure of ESR spectra. Nuclear magnetic resonance (NMR) - energy levels of magnetic nuclei in external magnetic field, resonance condition, magnetic shielding of the nuclei, spin-spin coupling, magnetic and chemical equivalence of nuclei, 1H, 13C, 14N, 15N and 19F magnetic resonance, relaxation in NMR, nuclear Overhauser effect, multidimensional NMR spectra. NMR tomography.
Possibilities of application of spectroscopic methods in solving various chemical problems (identification of organic compounds, establishing of the structure of chemical compounds, analytical applications).
Lecture = 30 hours.
Individual preparation for each lecture (1.5 h weekly) = 22 hours.
Preparation for the exam = 28 hours.
Together = approximately 80 hours.
Type of course
Mode
Prerequisites (description)
Learning outcomes
After completing the lecture, a student should be able:
a) to select appropriate spectroscopic techniques to solve a given problem,
b) to explain theoretical basics of spectroscopic measurement in selected spectra regions,
c) to interpret the spectra in relation to the structure of chemical compounds,
d) to use results of calculations in interpretation of the spectra,
e) to understand and critically assess the limitations of different spectroscopic methods,
f) to understand the theoretical rudiments and applications of various kinds of molecular spectroscopy,
g) to know the basic aspects of modern measurable apparatuses succoring scientific research in chemistry,
h) to exploit the methods of molecular spectroscopy for the analysis of structure and the properties of molecules in gases and liquids.
Assessment criteria
Final examination carried out as a written test containing multiple selection questions, blank-filling questions and simple computational exercises. Writing time 90 minutes.
Practical placement
None
Bibliography
P. W. Atkins, Chemia Fizyczna, PWN, Warszawa, 2003.
Z. Kęcki, Podstawy spektroskopii molekularnej, PWN, Warszawa, 1992.