Modern X-ray Structure Determination (MXD)5 ECTS
(englische Bezeichnung: Modern X-ray Structure Determination)
(Prüfungsordnungsmodul: Modern X-ray Structure Determination)

Lehrveranstaltungen:

• • Modern X-ray structure determination of single crystals
    (Vorlesung mit Übung, 3 SWS, Frank Wilhelm Heinemann, time and place by agreement; please contact Dr. Heinemann (frank.heinemann@fau.de) latest till Friday in the first week of lectures! please enroll at StudOn using the following link: https://www.studon.fau.de/crs3307070_join.html)

Inhalt:

• Fundamentals of crystallization and polymorphism

• Structural description of single crystals, crystal systems, unit cell, symmetry and symmetry elements, space groups

• Diffraction power of crystals, diffraction conditions, structure factor

• Generation of X-rays, single crystal diffractometers, detection techniques

• Structure solution techniques and refinement procedures, software, problems and pitfalls, interpretation of results

• Anomalous dispersion and absolute structure

• Graphical representations, use of data bases

Lernziele und Kompetenzen:

Students ...

• get insight into thermodynamics of crystallization and crystallization techniques

• get fundamentals of the theory behind crystal structure determination

• get practice in crystal selection, mounting and measurement set-up

• get hands-on training in structure solution and refinement using up-to-date software

• are enabled to interpret and compare results of a single crystal structure determination

Literatur:

• Werner Massa: Kristallstrukturbestimmung. Teubner Studienbücher Chemie, Vieweg und Teubner, 6. Auflage, 2009, ISBN: 3834806498

• William Clegg: Crystal Structure Determination. Oxford Chemistry Primers. Oxford University Press, 1998, ISBN: 0198559011

• Further literature will be recommended in the course

Bemerkung:

Module campatibility:

• as Elective Module in M.Sc. Chemistry or M. Sc. Molecular Science (5 ECTS, not graded)

Organisatorisches:

• Module can be taken in winter or in summer term

• Module will be taught in presence and/or online

• Students have to register for the module examination (check registration periods)

• Information/registration available on studon XXXXXXX

Studien-/Prüfungsleistungen:

Modern X-ray Structure Determination (Prüfungsnummer: 65581)

Prüfungsleistung, Übungsleistung, benotet, 5 ECTS

Anteil an der Berechnung der Modulnote: 100.0 %

weitere Erläuterungen:
Lab report in manuscript style (max. 2000 words plus raw data); module is ungraded, but has to be passed!

Prüfungssprache: Englisch

Erstablegung: WS 2020/2021

1. Prüfer:

Frank Wilhelm Heinemann