Solid State Chemistry
A.Y. 2024/2025
Learning objectives
The course will illustrate characterization and properties of molecular and polymeric compounds in the solid state. In particular, in this course, the characterization of solid phases will be treated through advanced powder diffraction techniques (X-rays, neutrons). Furthermore, the solid state properties of materials of energetic and environmental interest and of industrial interest will be described.
Expected learning outcomes
The student will acquire skills in the use of advanced solid state characterization techniques and in the description of the properties of solid state molecular and polymeric materials. Furthermore, the student will correlate the crystalline structure of these materials, with their physical and chemical properties for industrial, energetic and environmental applications.
Lesson period: Second semester
Assessment methods: Esame
Assessment result: voto verbalizzato in trentesimi
Single course
This course cannot be attended as a single course. Please check our list of single courses to find the ones available for enrolment.
Course syllabus and organization
Single session
Responsible
Lesson period
Second semester
Course syllabus
Part 1. Theory
1. Powder X.ray Diffraction: fundamentals
2. Experimental techniques: laboratory sources and large-scale facilities
3. Preliminary Data Processing and Phase Analysis
4. Simulation of powder diffraction patterns: the Rietveld method
5. Unit cell determination and refinement: Le Bail/Pawley refinements
6. Crystal Structure Determination: ab initio methods in the direct space
7. Computer Software for powder X-ray diffraction analysis
8. Micro structural properties
9. Non ambient diffraction techniques
- Variable temperature
- Variable gas-pressure
- High pressure (Diamond Anvil Cell - DAC)
10. Local Structure from Total Scattering and atomic Pair Distribution Function (PDF) analysis
Part 2. Applications
11. Polymorphism and phase transitions in the solid state
- definitions, theory and thermodynamics
- batch and industrial crystallization techniques
- Thermodynamic characterization: thermal analyses
- Structural characterization: thermodiffractometry and hot-stage mycroscopy
12. Molecular and polymeric materials:
- Active Pharmaceutical Ingredients (APIs)
- Pigments
- Porous materials: zeolites and metal-organic frameworks
- Inorganic materials: magnetic, ionic conductors and intercalation compounds
1. Powder X.ray Diffraction: fundamentals
2. Experimental techniques: laboratory sources and large-scale facilities
3. Preliminary Data Processing and Phase Analysis
4. Simulation of powder diffraction patterns: the Rietveld method
5. Unit cell determination and refinement: Le Bail/Pawley refinements
6. Crystal Structure Determination: ab initio methods in the direct space
7. Computer Software for powder X-ray diffraction analysis
8. Micro structural properties
9. Non ambient diffraction techniques
- Variable temperature
- Variable gas-pressure
- High pressure (Diamond Anvil Cell - DAC)
10. Local Structure from Total Scattering and atomic Pair Distribution Function (PDF) analysis
Part 2. Applications
11. Polymorphism and phase transitions in the solid state
- definitions, theory and thermodynamics
- batch and industrial crystallization techniques
- Thermodynamic characterization: thermal analyses
- Structural characterization: thermodiffractometry and hot-stage mycroscopy
12. Molecular and polymeric materials:
- Active Pharmaceutical Ingredients (APIs)
- Pigments
- Porous materials: zeolites and metal-organic frameworks
- Inorganic materials: magnetic, ionic conductors and intercalation compounds
Prerequisites for admission
Suggested propedeuticity:
General and Inorganic Chemistry
Basics of analytical chemistry (basics of powder X-ray diffraction and thermal analyses)
General and Inorganic Chemistry
Basics of analytical chemistry (basics of powder X-ray diffraction and thermal analyses)
Teaching methods
Frontal lesson with projected slides andwith the support of the blackboard. Interaction with the class via smartphone APP with easy questions and anonymous answers to evaluate the understanding of the topics in real time. Laboratory exercises and hands-on sessions with computers to apply the methods learned in class to real case studies
Teaching Resources
Reference material
- Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition. Pecharsky, Vitalij, Zavalij, Peter
- Powder Diffraction: Theory and Practice. Dinnebier and Billige
- Polymorphism in molecular crystals. Bernstain
- Polymorphism in the pharmaceutical Industry. R. Hilfiker.
- Solid State Chemistry: an Introduction. Moore and Smart.
- Solid State Chemistry and Its Applications. A.R. West
The teaching material also includes the slides projected at the course and the lectures produced by the teacher on the topics dealt with in the classroom.
- Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition. Pecharsky, Vitalij, Zavalij, Peter
- Powder Diffraction: Theory and Practice. Dinnebier and Billige
- Polymorphism in molecular crystals. Bernstain
- Polymorphism in the pharmaceutical Industry. R. Hilfiker.
- Solid State Chemistry: an Introduction. Moore and Smart.
- Solid State Chemistry and Its Applications. A.R. West
The teaching material also includes the slides projected at the course and the lectures produced by the teacher on the topics dealt with in the classroom.
Assessment methods and Criteria
Colloquium: the course includes a final interview with the assignment of a mark. The outcome of the interview is in thirtieths: the interview is considered to be complete if the candidate obtains a score of at least 18/30.
CHIM/03 - GENERAL AND INORGANIC CHEMISTRY - University credits: 6
Lessons: 48 hours
Professor:
Colombo Valentina
Shifts:
Turno
Professor:
Colombo ValentinaProfessor(s)