Ateneo - UPO

The course is divided into two modules: in the first module of the course, the physical principles of Nuclear Magnetic Resonance, spectral analysis and structural determination of simple metal complexes and inorganic compounds will be developed. Particular attention will also be paid to the study of electron paramagnetic resonance spectroscopy (EPR) in inorganic chemistry. In the second module of the course, some basic concepts of spectroscopic, ionization and magnetic techniques applied to metal complexes and inorganic materials will be illustrated.

The course material will be made available on the DIR platform.
Recommended consultation of:
Online course on the site: http://www.cis.rit.edu/htbooks/nmr/inside.htm (J.P. Hornak);
H. Friebolin, "Basic One- and Two-Dimensional NMR Spectroscopy", VCH (available in the library)
- M. Brustolon, E. Giamello, Electron Paramagnetic Resonance - A Practitioner's Toolkit, Ed. John Wiley & Sons, Inc., Hoboken, New Jersey, 2009.
- M. Weller, T. Overton, J. Rourke, F. Armstrong, “The Inorganic Chemistry of Atkins”, Zanichelli.

The first part of the course aims to provide a solid foundation of the principles of Nuclear Magnetic Resonance Spectroscopy and a preliminary knowledge of the basics of the EPR technique. Particular attention will be paid to the development of the ability to interpret one-dimensional and multinuclear spectra of simple inorganic compounds in the light of theoretical concepts.
In the second part of the course, the student will be guided towards the acquisition of the basic principles of some optical, ionization and magnetic techniques. In particular, the course aims to develop the student's ability to draw conclusions on the structure / property relationship of coordination compounds and inorganic materials.
The course as a whole also aims to develop the ability to learn independently and the critical sense that allows the student to draw conclusions on issues related to the topics covered. Finally, the student will develop their communication skills by acquiring and using a chemical language appropriate to the topics of the course.

Principles of the General and Inorganic Chemistry and Physical Chemistry

First part of the course: lectures integrated with some classroom exercises and related discussion and analysis of one-dimensional NMR spectra.
Second part of the course: lectures and collegial discussion on the use of spectroscopic, ionization and magnetic techniques for studying the structure / properties of metal complexes and simple inorganic materials.

The concepts covered by the course will be discussed collegially in the classroom and applied directly during classroom exercises for the interpretation of spectra of inorganic compounds, obtained with the various spectroscopic and resonance techniques, the subject of the course.

Written exam of 3h consisting of 8 questions (which include both theoretical open questions and small exercises in the interpretation of spectra of inorganic compounds). The highest grade is achieved with solid knowledge and the ability to apply knowledge on all topics covered. The results of the exam highlight the degree of understanding of theoretical concepts and the degree of acquisition of an adequate technical-scientific language through the answers to the open questions. The autonomy of judgment is also assessed through the request to express judgments and make comparative choices, and the ability to learn independently.

First part of the Course: spectroscopic methods based on Magnetic Resonance for the study of the molecular structure and dynamic processes will be studied. Basic principles of the technique; nuclei in a magnetic field; resonance; population of nuclear spin levels; continuous wave experiment. Pulse NMR method: generalities, pulse angle, rotating coordinate system, Bloch equations, relaxation, Fourier transform. NMR parameters: chemical shift (diamagnetic, paramagnetic and local contributions) and coupling constants (geminal, vicinal, long-range, homo- and heteronuclear). Chemical and magnetic equivalence of nuclei. Order of an NMR spectrum. Examples of NMR spectra of multinuclear inorganic compounds. Brief outline of the basic principles of electronic paramagnetic resonance spectroscopy (EPR) and its application in the characterization of simple paramagnetic compounds.
Second part of the course: Interpretation of simple electronic spectra of coordination compounds. Principles of Mössbauer spectroscopy. Ionization techniques for: i) the elemental analysis of compounds containing metal centers, ii) the determination of the oxidation state of ions, iii) the energies of the orbitals in compounds and inorganic solids. Use of magnetometry for the study of the magnetic properties of inorganic compounds. Measurement of the magnetic susceptibility of paramagnetic complexes.

Knowledge and understanding: knowledge of the theoretical bases of NMR spectroscopy, of the most used NMR techniques and their applications; know the principles for assigning and predicting 1H spectra of simple inorganic molecules. Knowledge of the fundamentals of EPR spectroscopy, and of electronic and vibrational spectroscopies
Ability to apply knowledge and understanding: ability to apply theoretical knowledge to the interpretation of spectra obtained from various spectroscopic and resonance techniques. Ability to design the complete characterization of a coordination compound and to discuss its structure / property relationship.
Autonomy of judgment: Ability to critically analyze the notions learned.
Communication skills: ability to use appropriate scientific language in answering questions, in analyzing spectral data; acquisition of an appropriate scientific language to communicate in a precise, concise and clear way.
Learning skills: ability to use the teaching material for a critical and reasoned study that allows the subsequent autonomous acquisition of further knowledge in the field of NMR spectroscopy and other spectroscopic and magnetic techniques covered by the course.