66931 - Spectroscopic Methods

Course Unit Page

Academic Year 2019/2020

Learning outcomes

At the end of the course, the student knows how radiation can interact with molecules. He knows how rotational, vibrational, and electronic spectra can be used to determine molecular properties and for analytical applications.

Course contents

Introductive concepts: Radiation-matter interaction. Transition moments. Electromagnetic spectrum. Relationships between frequency, wavenumber and wavelength.

Rotational Spectroscopy of diatomic molecules: Classical treatment. Quantum-mechanical treatment: the rigid rotor. Centrifugal distorsion: the semi-rigid rotor. Energy levels, selection rules, intensity and spectra. Numerical exercises.

Vibrational Spectroscopy of diatomic molecules: Classical tratment. Quantum-mechanical treatment: the harmonic oscillator. Anharmonicity. Energy levels, selection rules, intensity and spectra. Numerical exercises.

Vibro-rotational Spectroscopy of diatomic molecules: Energy levels, selection rules, intensity and spectra. Numerical exercises.

Raman Spectroscopy of diatomic molecules: Raman effect. Selection rules: polarizzability and induced dipole moment. Rotational Raman spectroscopy. Vbrational Raman spectroscopy. Nuclear spin effects. Numerical exercises.

Electronic Spectroscopy of diatomic molecules: Born-Oppenheimer approximation and potential energy surface. Franck-Condon principle. Vibronic transition: Energy levels, selection rules, intensity and spectra. Derivation of dissociation energies from vibronic spectra. Ro-vibronic transition: Energy levels, selection rules, intensity and spectra. Numerical exercises.

Laboratory exercises: Four experiments on rotational, vibro-rotational, Raman and vibronic spectroscopies.

 

Readings/Bibliography

J.M. Brown: "Molecular Spectroscopy" - Oxford Science Publications.

P.W. Atkins, J. de Paula : "Chimica Fisica" (5a ed. italiana dalla 9a inglese) – Zanichelli.

Additional documentation available online.

Teaching methods

Lessons in the classroom (4 CFU), exercises (1 CFU), and laboratory experiments (1 CFU), made by 5-6 students groups.

Assessment methods

Learning assessment is evaluated by means of the final (written) examination and lab laboratory-practical reports (these should be submitted within the end of the teaching term). The written exam aims at verifying the student's knowledge and skills. The duration of this examination is on average 240 minutes and is organized as follows:

- Solution of about 11 numerical exercises (similar to those solved during the course)

- Answer to about 25 questions (most of them: multiple choice) concerning the theoretical part.

During the written exam the use of the pocket calculator is allowed.

The final mark is the CFU weighted mean of the marks obtained for: written exam and laboratory reports.

Partial (intermediate) exams are scheduled:

- Within the middle of April: written exam on basic concepts and rotational spectroscopy. Questions and exercises.

- Within the first week of May: written exam on vibrational and ro-vibrational spectroscopy. Questions and exercises.

- Within the end of May: written exam on Raman and electronic spectroscopy. Questions and exercises.

Teaching tools

1) Blackboard (lectures and exercises) and video-projector. Lecture notes.
2) computational lab praticals

Office hours

See the website of Cristina Puzzarini

See the website of Luca Evangelisti