- Docente: Cristina Puzzarini
- Credits: 6
- SSD: CHIM/02
- Language: Italian
- Teaching Mode: Traditional lectures
- Campus: Bologna
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Corso:
First cycle degree programme (L) in
Chemistry and Materials Chemistry (cod. 8006)
Also valid for First cycle degree programme (L) in Chemistry and Materials Chemistry (cod. 8006)
Learning outcomes
At the end of the course, the student knows how radiation can interact with molecules. He knows how rotational, vibrational, electronic and NMR spectra can be used to determine molecular properties and for analytical applications.
Course contents
Population of molecular energy levels: Boltzmann equation. Interaction between electromagnetic radiation and molecules: transition moment, selection rules, intensity of transitions.Main spectral regions : radiofrequency, microwave, infrared, visible-ultraviolet.
Rotational spectroscopy: Classical treatment. Quantum-mechanical treatment. Classification of molecules. Linear rotor: energy levels, selection rules, rotational spectrum, centrifugal distortion, derivation of structural parameters. Symmetric and asymmetric rotors.
Vibrational and ro-vibrational spectroscopy of diatomic molecules. Energy levels, selection rules, ro-vibrational spectrum, intensity. Determination of force constants.
Vibrational spectroscopy of polyatomic molecules. Derivation of normal modes. Vibrational hamiltonian in terms of harmonic oscillator. Energy levels and selection rules.The case of CO2.
Raman spectroscopy. Scattering and Raman effect. Rotational Raman spectroscopy. Vibrational Raman spectroscopy. IR active and Raman active vibrational modes.
Absorption electronic spectroscopy. Born-Oppenheimer approximation and potential energy surface. Effects of molecular vibrations. Frank-Condon principle. Derivation of dissociation energies. Emission spectroscopy: fluorescence.
Nuclear Magnetic Resonance spectroscopy (NMR). Quantum mechanical introduction and the origin of chemical shifts for H-1 NMR signals.
Readings/Bibliography
P.W. Atkins, J. de Paula : “Chimica Fisica” (5th italian editio, from 9th english edition) – Zanichelli.
Chapters 12, 13, 14 (Spectroscopy 1, 2, 3).
Auxiliary documents from AMS Campus (italian version only).
Teaching methods
Lessons in the classroom (4 CFU), exercises (1 CFU), and laboratory experiments (1 CFU), made by 2-4 students groups.
Assessment methods
Written examination at the end of the semester (or series of "in itinere" written exams) and written laboratory reports (weight 1/3).
Teaching tools
Projectors for transparencies and slides in the classroom.
Several spectrometers and personal computers in the laboratory.
Office hours
See the website of Cristina Puzzarini