529-0039-00L Principles of Crystal Structure Determination
|Semester||Autumn Semester 2019|
|Lecturers||M. D. Wörle, N. Trapp|
|Periodicity||yearly recurring course|
|Language of instruction||German|
|Abstract||An introduction to the principles of X-ray diffraction and crystal structure determination as it relates to Chemistry|
|Objective||To gain an understanding of the principles of crystal structure determination by X-ray diffraction.|
|Content||Basic crystallographic concepts: Unit cells, Bravais lattices, Laue symmetry, crystal classes (point groups), space groups, crystal growth, instrumentation, diffraction of X-rays by crystals: physical and geometric basics, powder and single crystal methods, structure solution and modelling, interpretation of crystal structure data; internal coordinates for structure description: atom spacing, co-ordination polyhedra, bond angles, torsion angles; intermolecular interactions, absolute configuration determination. Overview of inorganic, organic and macromolecular databases.|
|Lecture notes||The script and exercises will be distributed weekly in loose form|
(1) W. Massa, "Crystal Structure Determination", 2nd Ed., 2004, Springer Verlag.
(2) J.D. Dunitz, "X-ray Analysis and the Structure of Organic Molecules", 1995, Verlag HCA.
(3) C. Hammond, "The Basics of Crystallography and Diffraction", 2nd Ed., 2001, International Union of Crystallography Texts on Crystallography 5, Oxford University Press.
(4) J.P. Glusker, M. Lewis & M. Rossi, "Crystal Structure Analysis for Chemists and Biologists", 1994, VCH Publishers.
(5) D. Blow, "Outline of Crystallography for Biologists", 2002 Oxford University Press.
(6) D. Schwarzenbach, "Kristallographie", 2001, Springer Verlag.
(7) C. Giacovazzo, H.L. Monaco, G. Artioli, D. Viterbo, G. Ferraris, G. Gilli, G. Zanotti & M. Catti, Fundamentals of Crystallography", edited by C. Giacovazzo, 2nd Ed., 2002, International Union of Crystallography Texts on Crystallography 7, Oxford University Press.
(8) J.P. Glusker & K.N. Trueblood, "Crystal Structure Analysis - A Primer", 2nd Ed., 1985, Oxford University Press.