CLASS TIME: W,F 12:00 - 01:50 pm, KPlz 143 (computer lab)
INSTRUCTOR: Dr. Viktor N. Nemykin, Office: Chem. 329, Phone: (218) 726-6729
e-mail: firstname.lastname@example.org; web page: www.d.umn.edu/~vnemykin/
office hours: M, W, 10:00 am - 11:00 am or by appointment
Chem 8424 is the spring semester Advanced Inorganic Chemistry class at the second year graduate level. Class covers theoretical and practical aspects of crystallography. The mentioned below topics are approximate course outline and can be changed depending on the class performance.
RECOMMENDED LECTURE MATERIALS:
1. "Crystal structure determination", by Werner Massa, 2nd ed., Springer, 2004.
2. "Crystal structure analysis for chemists and biologists", by Jenny P. Glusker, Mitchell Lewis, and Miriam
Rossi; VCH, 1994.
1. Crystals for Windows Manual (http://www.xtl.ox.ac.uk/crystals.1.html).
2. WinGX Manual (http://www.chem.gla.ac.uk/~louis/software/wingx/).
COURSE WEB PAGE:
All class materials, including this syllabus will be posted and periodically updated on the following web page:
Part 1 (01/13/2016 - 04/19/2016):
Problem set 1 (simple data set):............................50 points
Problem set 2 (special position): ..........................50 points
Problem set 3 (disorder): ....................................50 points
"Take home" exam:.............................................50 points
Total 200 points
Part 2 (04/20/2016 - 04/29/2016):
X-ray data collection: ..........................................50 points
Data reduction and structure solution....................50 points
Total 100 points
In class final exam:.. .........................................100 points
TOTAL: 400 points
Part 1 (01/13/2016 - 04/15/2016):
X-rays. Crystal state. Growing single crystals. Detectors. Diffractometers. Unit cell. Transformations in crystallography. Crystal systems. Space group. Symmetry operations. Metric tensors. Bregg's law, X-ray Powder diffraction. Indexing. Systematic absences (or Reflection conditions). Atomic scattering. Structural factors. Fourier transformation. Electron density. Phases. Intensity. Data reduction. Phase problem. Structure solution. Direct method. Paterson function. Refinement of crystal structures (Full-matrix least squares). Disorder. Visualization of the crystal structures. CIF file. Crystal structure validation. CCDC database.
• Crystallization compounds.
• Theory of diffraction methods.
• Sample selection, data collection and reduction.
• Introduction to crystallographic software (Shelx, Crystals, Sir-XXXX, WinGX, ORTEP ...).
• Structure solution and refinement.
• Crystal structure validation and preparation of complete report.
• Introduction to crystallographic literature and Cambridge Crystallographic Data Center.
Required software and Internet access:
1. Crystals or SHELX.
2. WinGX for windows users. Users of UNIX like OS (Mac OS or GNU/Linux) should contact instructor.
Additional software (recommended but not required)
Ortep-3 for Windows: http://www.chem.gla.ac.uk/~louis/software/ortep3
PLATON: http://www.platonsoft.nl/platon/pl000000.html or (Windows) http://www.chem.gla.ac.uk/~louis/software/platon/
Part 2 (04/15/2016 - 05/06/2016):
• Practices of X-ray data collection
• Data reduction
• Space group determination
• Structure solution
• Crystal structure interpretation
Minimum requirements for successful completion of this course include satisfactory completion of all
possible examinations, problem sets, and practical component. The lectures and textbook are your primary
sources of information. Attendance at all lectures and discussion meetings is expected, and is required
insofar as the quizzes and other in-class work at those sessions count toward your grade in the course.
All reports if needed for home works and "in class" problems should be typed and detailed information about calculations should be provided. If spreadsheet software (Excel, Calc etc.) were used for analysis all formulas should be provided in analytical form and one numbering example should be given as well.
Academic dishonesty is taken seriously by the University. Cheating on assignments or examinations, plagiarizing, or any other act which violates the rights of another student in academic work or that involves misrepresentation of your own work may result in a grade reduction on the assignment/quiz/test or a grade reduction in the class (including the possibility of failing the class). If a student is found responsible for academic dishonesty, a report is filed with the UMD student academic integrity officer and is considered a violation of the Student Conduct Code. The UMD Student Academic Integrity Policy can be found at http://www.d.umn.edu/vcaa/StudentAcademicIntegrity.html. The policy outlines what is considered prohibited conduct.
Access for Students with Disabilities: It is the policy and practice of UMD to create inclusive learning environments for all students, including students with disabilities. If there are aspects of this course that result in barriers to your inclusion or your ability to meet course requirements, please notify the instructor as soon as possible. You are also encouraged to contact the Office of Disability Resources to discuss and arrange reasonable accommodations. Please call 218-726-6130 or visit the DR website at www.d.umn.edu/access for more information.
Cell phones are not allowed to be used at class time, except emergency.
For University Policy on Student Academic Integrity see: www.d.umn.edu/assl/conduct/integrity.