Ateneo - UPO

Heterogeneous catalysis: general concepts. Catalysts and reaction rates. Examples of industrial interest with emphasis on environmental issues. Nature of the active sites of the catalyst, physico-chemical characterization and mode of action.

Homogeneous catalysis: Concepts, examples and industrial applications of Metal-based homogeneous catalysis; Organocatalysis; Biocatalysis; Stereoselective homogeneous catalysis. Introduction to photocatalysis and electrocatalysis

Heterogeneous Catalysis: Principles and Practice of Heterogeneous Catalysis. J. M.Thomas, W. J. Thomas; Notes prepared by the professor. Principles and Practice of Heterogeneous Catalysis. J. M.Thomas, W. J. Thomas.

Homogeneous catalysis: Catalysis, An Integrated Textbook for Students, U. Hanefeld, L. Lefferts, Wiley-VCH 2018, ISBN 978- 3-527-34159-7Lesson slides.

Heterogeneous catalysis: Knowledge of the fundamental aspects of the following topics: definition of heterogeneous catalysis and catalyst, rates of chemical reactions and related theories, physi- and chemisorption processes, implications of heterogeneous catalysis in modern industry, characterization techniques in heterogeneous catalysis.

Homogeneous catalysis: Knowledge of the main catalytic systems operating in homogeneous phase, their mechanisms of action and their applications to the development of sustainable industrial processes.

Heterogeneous catalysis: Knowledge of basic thermodynamic and kinetic concepts

Homogeneous catalysis: Basic concepts of organic, inorganic and coordination chemistry.

Heterogeneous catalysis: Frontal lessons in the classroom with projection of slides and films. The teaching material (pdf file) used during the lessons will be available on the DIR platform.

Homogeneous catalysis: Classroom lessons (slides, movies and blackboard exercises). The course material (pdf/ppt files of slides) will be made available to the students in the online platform.

Students with physical disabilities, Learning Disabilities or Special Education Needs can request
specific services and tools via reference office consulting the University webpage:
https://www.uniupo.it/en/services/services-students-physical-or-learning-disabilities. Students with
disabilities, learning disabilities or special education needs, once they have contacted the University
Staff, can refer to the tutor in charge of the course to define the examination modalities, concerning
academic aspects.

The oral examination consists of two parts:
• Presentation of a graphical abstract, prepared according to the guidelines provided during the course. The presentation is intended to assess the student's ability to effectively summarize and communicate scientific content through a graphical format.
• Oral discussion on the topics covered during the lectures on homogeneous catalysis and heterogeneous catalysis, aimed at evaluating the student's understanding of the theoretical principles, mastery of the scientific terminology, and ability to critically connect the concepts addressed throughout the course.
The final grade will be the average of the marks obtained in the homogeneous catalysis and heterogeneous catalysis sections.
The final assessment will take into account both the scientific quality and communication effectiveness of the graphical abstract, as well as the student's performance during the oral discussion.

Heterogeneous catalysis: Introduction to catalysis. Definition of catalyst and catalyzed reaction. Types of catalysis: homogeneous, heterogeneous and enzymatic. Past, present and future of heterogeneous catalysis.
Heterogeneous catalysis within Green Chemistry. Materials for heterogeneous catalysis: crystalline and amorphous solids. Nature and reactivity of the surface of a heterogeneous catalyst: catalytically active sites, their dispersion and accessibility. Type of catalytically active sites: acidic, basic, redox and chiral. Classifications of heterogeneous catalysts: supported metals, porous materials and organic-inorganic hybrids. Surface reaction kinetics and elementary phases at the catalyst/reactant interface: diffusion, adsorption, chemical reaction and desorption. Fundamental aspects of chemical and physical adsorption at the interface: Langmuir-Hinselwood and Eley-Redeal models. Concepts of activity, selectivity, yield, atom economy, E-factor, turnover number (TON) and turnover frequency (TOF) of a catalytic process.
Synthetic methods and characterization techniques of heterogeneous catalysts: X-ray diffraction, optical and magnetic spectroscopies, electron microscopies. Mechanisms of poisoning and regeneration of a heterogeneous catalyst. Examples and case studies of processes catalyzed by acids, bases, metals and heterogeneous organometallic complexes. Hints to the catalyzed biomass transformation for the production of platform molecules and green fuels.

Homogeneous catalysis: Metal-based homogeneous catalysis Introduction: coordination chemistry concepts (ligands, chelating agents, coordination number, geometry, stereochemistry). Elementary steps in metal-based systems: ligand exchange, oxidative addition, reductive elimination, insertion, migration, others. Industrial application of metal-based homogeneous catalysis: hydrogenation, carbonylation (and related processes), C-C coupling and polymerization, methathesis C-H activation, oxidation/reduction.
Stereoselectivity in the metal-based homogeneous catalysis. Organocatalysis Acids: Brønsted, Lewis, chiral Base/nucleophilic catalysis. Iminium/enamine. Phase Transfer Catalysis. Introduction to photocatalysis and electrocatalysis. Stereoselectivity in organocatalysis. Biocatalysis. Biocatalysed reactions. Industrial applications of biocatalysis.

Heterogeneous catalysis: Knowledge and understanding: Knowledge of the basic principles and methods of heterogeneous catalysis. Knowledge of the principles of kinetics and of the relationships between reaction rate and reaction mechanism; knowledge of the concepts of activity, selectivity, yield, atom economy, E-factor, turnover number (TON) and turnover frequency (TOF) of a catalytic process. Ability to apply knowledge and understanding: ability to identify and solve problems involving chemical processes using the tools of heterogeneous catalysis; ability to recognize and quantify the elements related to heterogeneous catalysis in complex problems and processes. Making judgements: ability to critically analyze the elements linked to heterogeneous catalysis, highlighting the solutions that catalysis provides to real and complex problems. Communication skills: ability to report on scientific topics, and in particular on aspects concerning heterogeneous catalysis, in a precise, concise and clear manner. It is evaluated during the exam by analyzing the language used by the students in answering the oral questions. Learning ability: ability to use the didactic material for a critical and reasoned study, also for a subsequent autonomous and acquisition of superior knowledge.

Homogeneous catalysis: Knowledge and understanding: knowledge of the basic concepts of homogeneous catalysis, of the main types of homogeneous catalysts and understanding their mechanism of action.
Applying knowledge and understanding: ability to select the correct homogeneous catalysts for specific reactions of chemical processes.
Making judgements: ability to evaluate the effect of a homogeneous catalyst on the progress of a chemical reaction.
Communication skills: ability to communicate concepts, mechanisms of action and results related to problems of
homogeneous catalysis, in a correct and concise way and using adequate scientific terminology.
Learning skills: ability to autonomously retrieve information related to homogeneous catalysis from textbooks,
scientific literature and databases.