Chem 446
X-ray Crystallography
Spring 2008
INSTRUCTOR: Dr. Alan J. Jircitano
OFFICE: 33 Hammermill
PHONE: 898-6400
INTERNET: jircitano@psu.edu
http://chemistry.bd.psu.edu/jircitano/
OFFICE HOURS: M 4:30 - 6, R 11 - 12, F 9 - 10 and by appointment
TEXT: Powerpoint Notes
Crystal Structure Determination  - William Clegg

COURSE CONTENT:

  1. Overview
  2. Crystals
  3. Growth
  4. Selection
  5. Properties
  6. Sample Preparation
  7. Diffration of X-rays
  8. X-ray Sources
  9. Lattices, Planes, and Indices
  10. Bragg's Law
  11. Reciprocal Space
  12. Symmetry Operations and Space Groups
  13. Data Collection
  14. Geometric
  15. Intensity
  16. Diffractometers and Computers
  17. Data Reduction
  18. Structure Factors and Fourier Synthesis
  19. The Phase Problem
  20. Heavy Atom Method: Patterson Maps and Harker Lines and Planes
  21. Direct Methods
  22. Refinement
  23. Derived Results
  24. Computer Programs
  25. Structured Solution Software:    SHELXS and SHELXL
  26. Graphics:    ORTEP
  27. A Real Crystal Structure
  28. Publication - CIF format


EXAMS:

There will be two (2) 100 point take home exams.  Daily problems (along with class participation) are worth a total of 100 points.  The final will consist of answering questions based on a current journal article of a crystal structure and is worth 100 points.  The class total is 400 points.

GRADING:
 
A 100 - 93% 
A-   90 - 92%
B+   87 - 89%
B   83 - 86%
B-   80 - 82%
C+   77 - 79%
C   70 - 76%
D   60 - 69%
F     0 - 59%

Your final grade will be influenced by such factors as attendance and class participation.

POLICIES:

1.  If you find yourself lost or confused at any time, see me after class. The material is very cumulative. Do not wait until the last week to ask questions.

2.  Class attendance is expected.

3. Instructors are asked (Senate rule 49-20) to provide a statement at the beginning of a course to "clarify the application of academic integrity to that course."  The Senate Rule includes the following:

    Academic dishonesty includes, but is not limited to, cheating, plagiarizing, fabrication of
    information or citation, facilitating acts of academic dishonesty by others, having unauthorized
    possession of examinations, submitting work of another person or work previously used without
    informing the instructor, or tampering with the work of other students.

Please read Senate rule 49-20.  (www.psu.edu/ufs/policies/47-00.html#49-20) and the Penn State Erie guidelines on academic integrity: www.pserie.psu.edu/faculty/academics/integrity.htm.

Any violation of academic integrity will receive academic and possibly disciplinary sanctions, including the possible awarding of an XF grade which is recorded on the transcript and states that failure of the course was due to an act of academic dishonesty.  All acts of academic dishonesty are recorded so repeat offenders can be sanctioned according.