Class Structural Analysis

Structural Analysis provides students with fundamental knowledge of the main methodologies used for the identification and structural characterization of organic compounds. The course addresses the principles of molecular spectroscopy and their relationship with chemical structure, enabling students to understand the information obtained from different instrumental techniques and apply it to the identification of functional groups and structural elucidation of organic molecules. The curricular unit complements theoretical knowledge with practical exercises, thereby ensuring that students are adequately prepared for professional roles requiring competencies in structural identification. The importance of this curricular unit is reflected in its contribution to the development of new therapeutic agents, the assessment of the safety of natural products, and the research of bioactive compounds.

Not applicable

Fundamentals of Molecular Structure Chemical bonding theory Hybridization and molecular geometry Intermolecular interactions Organic Functional Groups Alkanes, alkenes, alkynes, and aromatic compounds Haloalkanes Alcohols, phenols, ethers, and epoxides Carbonyl compounds Amines Fundamentals of Molecular Spectroscopy Interaction of radiation with matter Electronic, vibrational, and magnetic transitions UV-Visible and Fluorescence Spectroscopy Theoretical principles Applications in molecular characterization Infrared and Raman Spectroscopy Molecular vibrations Functional group identification Nuclear Magnetic Resonance Spectroscopy Physical principles of NMR Instrumentation and sample preparation Chemical shifts, integration, and multiplicity Coupling constants Structural Elucidation Integration of spectroscopic data Practical cases of structural identification

Teaching methodologies includes attending master classes and other non-presential tools (e.g., moodle). They are based on active learning, using the resolution of exercises and discussion of practical cases. A topic will be proposed within the UC on which the student must present a review work, oral presentation, and discussion, about a particular molecule based on the techniques covered in the UC, namely nuclear magnetic resonance spectroscopy, mass spectrometry, hyphenated techniques (GC-MS and LC-MS), UV/Visible spectroscopy, and infrared and Raman spectroscopy.

Silverstein, R. M., Webster, F. X., Kiemle,D. J., (2007) Identificação espectrométrica de Compostos Orgânicos., 7th edição, LTC Editora. Williams, D. H., Fleming, I., (2019) Spectroscopic Methods in Organic Chemistry, 7th ed., Springer. Hesse M., Meier H., Zeeh B., (2021) Spectroscopic Methods in Organic Chemistry, 3rd ed. Georg Thieme Verlag Stuttgart, ISBN 9783132434080.