B3130 - STRUTTURISTICA CHIMICA

Learning outcomes

At the end of the course the student will acquire a good knowledge of the principles of the structural investigation methods that use X-rays and other radiations of comparable wavelength

Course contents

• Elements of crystallography: symmetry, point groups, space groups, crystal systems, asymmetric unit, fractional coordinates
• International crystallographic tables. Systematic absences
• Crystalline geometry. Axes, planes, Miller indices
• Reciprocal lattice. Construction and meaning of the reciprocal lattice, relationships between the reciprocal lattice and the real lattice
• X-ray diffraction. Laue interpretation, Bragg interpretation, Ewald interpretation
• Structure factors and Fourier transforms. Atomic scattering factor, structure factor, diffracted intensity, phase problem
• Instrumentation. X-ray generators, synchrotron light, single crystal and powder diffractometer
• Single crystal X-ray diffraction. Crystallization methods, instrumentation, structure resolution by direct methods, structure refinement methods, analysis of the molecular structure and its thermal parameters. Use of the crystallographic database (Cambridge Structural Database, CSD)
• X-ray diffraction from protein crystals. Sample preparation, structure resolution methods, structural validation methods, use of the crystallographic database (PDB)
• Time-resolved X-ray crystallography. Pump-probe, diffusion-trapping
• X-ray powder diffraction. Sample preparation, instrumentation, information obtained from the diffractogram
• Quantitative analysis of powder diffraction patterns. Phase recognition for organic and inorganic molecules.
• Transmission electron microscopy (TEM). Brightfield, darkfield, high resolution images. Electron diffraction

Readings/Bibliography

Lecture notes (powerpoint slides and other material)

G.H. Stout and L.H Jensen: "X-ray structure determination. A practical guide" (J. Wiley and Sons)

For students seeking additional information:

A. Immirzi, C. Tedesco: "La diffrazione dei cristalli" (Libreriauniversitaria.it)

C. Giacovazzo, H.L. Monaco, G. Artioli, D. Viterbo, G. Ferraris, G. Gilli, G. Zanotti, M. Catti: "Fundamentals of Crystallography" (Oxford University Press, USA

Teaching methods

The course includes frontal lectures and practical sessions

Assessment methods

Learning is assessed through a final examination, which aims at verifying the acquisition of the expected knowledge and skills through an oral test. The oral test focuses on the topics of the course and is aimed at verifying the student's understanding of the theoretical and experimental aspects of the methodologies covered by the course. The final grade is expressed out of thirty.

Teaching tools

Power point presentations and practical sessions in the laboratory

Office hours

See the website of Emilio Parisini