D1) Knowledge and understanding
The course aims to provide students with the basic quantum mechanical tools necessary to understand the molecular spectroscopy, with particular reference to the fundamental spectroscopic techniques for the study of the molecular structure (rotational and vibrational spectroscopy, electronic spectroscopies, NMR spectroscopy). The student will also acquire the experimental skills necessary to handle the most common spectroscopy instruments used for solving structural and analytical chemical issues.
D2) Applying knowledge and understanding
The student will be able to understand the relationships between molecular structure and spectroscopic properties and to choose the spectroscopy techniques more useful to characterize a molecular system. The student will be able to perform the good laboratory practices required for the achievement of spectral data of appropriate quality.

D3) Making judgements
The student will be able to independently evaluate the best spectroscopic techniques to be used for studying specific molecular properties.
The scholar will be prepared to use the abstract concepts learned during the course to understand and interpret the experimental measurements performed in the laboratory part of the course.
D4) Communication skills
Acquisition of a specific and rigorous language in order to correctly explain the spectroscopic topics and to discuss the spectroscopic experiments performed in the Lab. The student will acquire the ability to communicate scientific results by writing the reports on the lab activity.
D5) Learning skills
The rigorous language and basic concepts of spectroscopy learned by the students in the course will constitute a solid background allowing them to analyze in depth independently specific arguments related to spectroscopy and to set up a simple spectroscopic experiment and interpret the results.

Students attending to this course are expected to know the basic concepts of quantum mechanics. To take the "Chimica Fisica III con Lab." exam students must have passed the "Chimica Fisica II" exam.

MOLECULAR SPECTROSCOPY - Introduction to molecular spectroscopy. Absorption and emission of radiation. Transition dipole moment. General aspects of rotational, vibrational and electronic spectra. - Short introduction to molecular symmetry. Matrix representation of symmetry operations. Irreducible representations. Character tables. - Born-Oppenheimer approximation. Deriving of the nuclear motion equation. - Rotational Spectroscopy of diatomic molecules. Energy levels in the rigid rotor approximation. Rotational transitions. Transition moment and selection rules. The appearance of rotational spectra. Centrifugal distortion and its effects on the spectra. - Vibrational Spectroscopy of diatomic molecules. Quantum mechanical model of vibration in the harmonic approximation. Transition moment and selection rules. Anharmonicity effects. Vibration-rotation spectroscopy. - Vibrational Spectroscopy of polyatomic molecules. Normal modes of vibration. Vibrational Hamiltonian in the vibrational normal coordinates. Symmetry and normal mode activity. Anharmonicity effects: overtones and combination levels. - Vibrational Raman Spectroscopy. Rayleigh and Raman scattering. Appearance of vibrational Raman spectra. Classical treatment of Raman scattering: polarizability and induced dipole moment. Raman selection rules. Raman-active normal modes. - Molecular electronic spectroscopy. Molecular electronic structure in the MO-LCAO approximation.. Electronic transitions. Vibronic transitions. Franck-Condon factors. Vibronic selection rules. The fate of absorbed energy: non radiative and radiative decay mechanisms. Fluorescence and phosphorescence. - Photoelectron spectroscopy. Photoionization process, ionization energy and Koopmans’ theorem. Appearance of a photoelectron spectrum. Intensity of photoelectron bands. UPS spectra. Core ionizations and XPS spectra. - NMR Spectroscopy. Nuclear energy in external magnetic field. Transitions between nuclear spin states. Resonance frequency. Magnetic shielding, chemical shifts and spin-spin coupling. Nuclear spin Hamiltonian. Spectrum of molecules with two coupled nuclei: the AB and the AX nuclear spin systems. LABORATORY MODULE - Description of the hardware components and working principle of the instruments used for each spectroscopy. UV-vis Absorption Spectrometer. Fluorometer for steady state and time resolved measurements. Fiber optic spectrometers for RAMAN and NIR spectroscopy. FTIR spectrometer. Set-up for photoelectron spectroscopy. - Explanation of the laboratory activities and corresponding data analysis. - Laboratory classes will include experiments related to rotational-vibrational spectroscopy, vibrational spectroscopy (FTIR, RAMAN, NIR), electronic-vibrational spectroscopy, Uv-vis absorption spectroscopy, steady state and time resolved fluorescence spectroscopy, photoelectron spectroscopy.

J. M. Hollas, "Modern Spectroscopy", Wiley, USA P.W.Atkins, R.S. Friedman, "Meccanica quantisitca molecolare". Zanichelli C.N. BANWELL; Fundamental of Molecular Spectroscopy HOLLER, SKOOG, CROUCH; Chimica Analitica Strumentale; II edizione; EDISES COZZI, PROTTI, RUARO; Analisi Chimica Strumentale; II edizione; Zanichelli

MOLECULAR SPECTROSCOPY - General introduction to molecular spectroscopy. Adsorption and emission of radiation. Transition dipole moment. Lambert-Beer law. - Short introduction to molecular symmetry. Point groups. Matrix representation of symmetry operations. Character tables. - Born-Oppenheimer approximation Reference to B-O approximation. Deriving of the nuclear motion equation. - Rotational Spectroscopy of diatomic molecules Rotational energy levels in the rigid rotor approximation. Rotational transitions. Transition moment and selection rules. The appearance of rotational spectra. Centrifugal distortion. - Vibrational Spectroscopy of diatomic molecules Vibrational energy levels and wavefunctions in the harmonic approximation. Vibrational transitions. Transition moment and selection rules. Anharmonicity. Birge-Sponer extrapolation. Vibration-rotation spectra. Method of combination differences. - Vibrational Spectroscopy of polyatomic molecules Normal modes of vibration. Vibrational Hamiltonian in the vibrational normal coordinates. Selection rules. Symmetry and normal mode activity. Anharmonicity effects: overtones and combination levels. - Vibrational Raman Spectroscopy. Rayleigh and Raman scattering. Appearance of vibrational Raman spectra. Classical treatment of Raman scattering: polarizability and induced dipole moment. Raman selection rules. - Molecular electronic spectroscopy. Reminders of molecular electronic structure in the MO-LCAO approximation. Electronic transitions. Transition moment and selection rules. Vibronic transitions. The Franck-Condon principle. Franck-Condon factors. Vibronic selection rules. Birge-Sponer extrapolation. Decay mechanisms of excited states. Fluorescence and phosphorescence. - Photoelectron spectroscopy. Photoionization process. Ionization energy and Koopmans’ theorem. Intensity of photoelectron bands. UPS spectra analysis. Core ionizations and X-ray photoelectron spectroscopy. - NMR Spectroscopy Nuclear spin angular momentum. Magnetic moment and interaction with magnetic field. Magnetic shielding, chemical shifts and spin-spin coupling. Nuclear spin Hamiltonian. Spin operators and spin functions. Selection rules. Spectrum of molecules with two coupled nuclei. LABORATORY MODULE Components and operation principle of the instrumentation used for FTIR, RAMAN, NIR, UV-vis absorption, fluorescence and photoelectron spectroscopies. Explanation of the laboratory classes and of the data analysis: - Rotational-Vibrational Spectroscopy. Rotational-vibrational spectrum of HCl vapors and analysis using the combination difference method. - Vibrational Spectroscopy. Identification of IR/RAMAN active mode of small molecules; observation of sovratones and combination bands in selected compounds. - Electronic-Vibrational Spectroscopy. High resolution vibronic spectrum of I2 vapours and Birge-Sponer plot analysis. - Fluorescence spectroscopy. Study of fluorescence quenching of quinine by alkali metal halides using steady-state and time-resolved measurements. Investigation of the heavy atom effect on the fluorescence spectra of organic dyes, both in solution and embedded in glass matrices. - UV-vis absorption spectroscopy. UV-vis spectra of organic dyes. - Photoelectron Spectroscopy. Analysis of photoemission spectra of the melamine molecule in gas phase.

The course consists of classroom lectures and practical laboratory experiments with spectroscopic equipment. During the classroom lectures all the relevant theoretical aspects are derived and discussed on the blackboard. The slides of the course are available for the students on the MOODLE/TEAMS platform.

Students have to pass an individual oral exam which consists of at least 2 main questions about the theoretical part of the course and at least 1 about the Lab part. Students will have to demonstrate their good acquisition of : the correct language and technical terminology; the fundamental concepts developed in the classroom; the ability to expose the arguments in a clear and logical way. The laboratory part will be also evaluated by taking into account the student attitude and the quality of the reports that student must write for each experiment. The final mark will be based on the oral examination and will be out of thirty.
The evaluation grid adopted is as follows:
- Excellent (30 - 30 cum laude): excellent knowledge of the topics, excellent command of language,
excellent analytical ability.
- Very good (27 - 29): good knowledge of the topics, notable fluency in language,
good analytical ability.
- Good (24-26): good knowledge of the main topics, fair command of language; he/she
student shows adequate analytical ability.
- Satisfactory (21-23): the student does not show full mastery of the topics
principals of teaching, despite possessing the fundamental knowledge; show anyway
satisfactory language skills and sufficient analytical ability.
- Sufficient (18-20): minimal knowledge of the main topics of teaching and
technical language, limited analytical ability.
- Insufficient: the student does not have acceptable knowledge of the contents of the
different topics of the program.

This course explores topics closely related to one or more goals of the United Nations 2030 Agenda for Sustainable Development (SDGs)