Infopaket

Research and analysis of the crystal structure

ВБ.5.07

Вибіркова дисципліна для ОП

Second

2023/2024

3 Semester

3

P1. Know and understand the scientific concepts and modern theories of chemistry, as well as the fundamental foundations of related sciences. P2. Deeply understand the main facts, concepts, principles of theory related to the subject area mastered during the master's program, use them to solve complex tasks and problems, as well as conduct research in the relevant field of chemistry. P05. To know the methods of computer modeling of the structure, parameters and dynamics of chemical systems. P9. Collect, evaluate, and analyze the data needed to solve complex chemistry problems using appropriate data processing methods and tools. P14. Interpret experimentally obtained data and correlate them with relevant theories in chemistry.

Full-time form

This course is based on the use of knowledge obtained during the study of diffraction methods of analysis (theory of X-ray diffraction, X-ray scattering, inverted lattice, selection rules, basics of single-crystal and powder diffraction methods), crystal chemistry (structure and symmetry of crystals, point and spatial elements of symmetry) , quantum chemistry (types of chemical bonds), physics (diffraction of waves), mathematics (elements of analytical geometry and vector algebra).

The course "Research and Analysis of Crystal Structure" is designed to give students an idea of the methods of solving an unknown crystal structure based on single crystal and powder diffraction data, features of the localization of various atoms, disordering and twinning effects. The course is also aimed at students acquiring practical skills in crystal structure analysis, establishing the main structural features of new substances, analyzing packing and weak interactions in crystal structures, and preparing structural data for presentation in scientific publications.

1. Kazimirov V.P., Rusanov E.B. Radiography of crystalline materials: teaching. manual. - K.: VOC "Kyiv University". - 2016. - 287 p. 2. Seeck O.H., Murphy B.M. X-ray diffraction. Modern Experimental Techniques. – Pan Stanford Publishing. - 2014. - 468 p. 3. Guinebretière R. X-ray Diffraction by Polycrystalline Materials. - ISTE. - 2007. - 384 p. 4. Waseda Y., Matsubara E., Shinoda K. X-Ray Diffraction Crystallography. X-Ray Diffraction Crystallography. - Springer. - 2011. - 322 p.

Lectures, Laboratory classes

Semester control includes homework, tests and of laboratory works. The evaluation is based on a 100-point scale. The maximum / minimum number of points that can be obtained by a student during the semester assessment is 60 points / 36 points. The final assessment is conducted in the form of an exam. The maximum / minimum number of points that can be obtained by a student in the exam is 40 points / 24 points.

Ukrainian