MOLECULAR STRUCTURE WITH ELEMENTS OF SPECTROSCOPY

Knowledge and understanding
Acquire the fundamental concepts of quantum mechanics required to describe atomic and molecular structure. Understand the principles governing the electronic structure of atoms and molecules, the main approximations used in their theoretical description, and the theoretical foundations of the principal spectroscopic techniques.

Applying knowledge and understanding
Apply the principles of quantum mechanics to the qualitative description of the electronic structure of atoms and molecules, interpret physicochemical properties and spectroscopic data, and relate molecular structure, chemical bonding, and the interaction of matter with electromagnetic radiation.

Making judgements
Critically analyze problems concerning atomic and molecular structure, select the most appropriate theoretical models among those introduced in the course, and independently interpret basic spectroscopic results.

Communication skills
Communicate concepts, theoretical models, and results related to quantum mechanics, molecular structure, and spectroscopy using appropriate scientific terminology, and interact effectively with both specialist and non-specialist audiences.

Learning skills
Develop the ability to independently deepen knowledge through the study of advanced textbooks and the scientific literature, acquiring the theoretical background required for further studies in theoretical chemistry, physical chemistry, molecular spectroscopy, and related disciplines.

The course is delivered through lectures integrated with numerical exercises.

Lectures are aimed at presenting the theoretical foundations of quantum mechanics, atomic and molecular structure, radiation–matter interaction and molecular spectroscopy.

Numerical exercises are devoted to the application of theoretical concepts through the guided solution of quantitative problems, with particular emphasis on the use of the models introduced during the course and on the interpretation of the obtained results.

The integration of lectures and problem-solving exercises supports the achievement of the intended learning outcomes by promoting both the acquisition of theoretical knowledge and the development of the ability to apply such knowledge in quantitative and interpretative contexts.

Regular attendance and active participation in lectures and exercises are strongly recommended in order to facilitate the understanding of the topics covered and the development of problem-solving and application skills.

Students are expected to have:

• basic mathematical knowledge acquired in secondary school, including algebra, geometry, trigonometry, and elementary functions;
• a working knowledge of calculus, including differential and integral calculus of functions of one variable;
• a background in general physics, including the fundamentals of classical mechanics, electromagnetism, and wave phenomena;
• a background in general chemistry, including the structure of matter, chemical bonding, and the periodic properties of the elements.

No prior knowledge of quantum mechanics is required, as the fundamental concepts necessary for the course are introduced in the first part of the course.

I. Fundamentals of Quantum Mechanics and the Quantum Description of Atomic and Molecular Structure

• Basic concepts and postulates of quantum mechanics.
• Wave functions, operators, observables, and the Schrödinger equation.
• Simple quantum mechanical models and their applications.
• Electronic structure of atoms.
• Approximate methods for many-electron systems.
• Molecular electronic structure and chemical bonding.

II. Radiation–Matter Interaction and Molecular Spectroscopy

• Interaction between electromagnetic radiation and matter.
• Selection rules and transition probabilities.
• Rotational, vibrational, and electronic spectroscopy.
• Basic principles of magnetic resonance spectroscopy.
• Interpretation of spectroscopic data in relation to molecular structure.

Numerical Exercises

• Solution of quantitative problems related to the topics covered in the course.
• Applications of quantum mechanical models to simple atomic and molecular systems.
• Analysis and interpretation of spectroscopic data.

McQuarrie, Simon - Physical chemistry: a molecular approach

P.W.Atkins - Chimica fisica

Assessment of learning outcomes is carried out through an oral examination integrated with a numerical exercise.

The oral examination aims to assess the students’ knowledge and understanding of the topics covered in the course, with particular reference to the principles of quantum mechanics, atomic and molecular structure, radiation–matter interaction and molecular spectroscopy.

The numerical exercise is aimed at evaluating the students’ ability to apply the theoretical models and methodologies introduced during the course to the solution of quantitative problems and to the interpretation of data related to molecular structure and spectroscopy.

The final evaluation will consider the mastery of the course contents, the ability to apply the acquired knowledge, the autonomy in problem analysis, and the appropriate use of scientific terminology.

Learning assessment may also be carried out online, should the conditions require it. To ensure equal opportunities and in compliance with current laws, interested students may request a personal interview in order to plan any compensatory and/or dispensatory measures based on educational objectives and specific needs. Students can also contact the CInAP (Centro per l’Integrazione Attiva e Partecipata – Services for Students with Disabilities and/or Specific Learning Disorders) referring person within their Department.

The questions and exercises proposed during the examination cover the topics addressed throughout the course and are aimed at assessing the understanding of fundamental concepts, the ability to apply theoretical models, and the skills required to solve quantitative problems.

No predefined or recurring examination questions are provided; questions are formulated according to the topics actually covered during the course.