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~ Crystallography ~

~ Crystallography ~. Prof. Yu Wang Office: A507 Telephone: 3366-1653. 2007.2.27~2007.6.15. Crystallography. Chapter I. Introduction. II. Crystal Lattice Direct and reciprocal lattice; lattice centering; Miller indices; cell orthorgonalization. III. Group Theory Application

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~ Crystallography ~

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  1. ~ Crystallography ~ Prof. Yu Wang Office: A507 Telephone: 3366-1653 2007.2.27~2007.6.15

  2. Crystallography Chapter I. Introduction II. Crystal Lattice Direct and reciprocal lattice; lattice centering; Miller indices; cell orthorgonalization III. Group Theory Application Symmetry; classification; space group; cell transformation IV. Atomic Scattering Scattering amplitude; anomalous scattering; thermal vibration V. Crystal Diffraction Structural amplitudes;centric and non-centric cases; systematic absences VI. Fourier Synthesis relationship between structural amplitudes and electron density VII. Structure Determination Analysis Data collection; data reduction, Phase determination, Fourier transform, Least squares, Model construction, Error analysis VIII. Special topics

  3. References： • 1. Azoroff, “Elements of X-ray Crystallograpy” • 2. Stout & Jensen, 2nd Ed. “X-ray Structure Determination” • 3. Glusker & Trueblood, 2nd Ed. “Crystal Structure Analysis” • 4. Giacovazzo et al, “Fundamentals of Crystallography” Oxford Sci • 5. Mckie, “Essentials of Crystallography” • 6. Ladd & Palmer, “Structure Determination by X-ray Crystallography” • 7. 晶體繞射研習會論文集 • 8. “International Tables for X-ray Crystallography” Vol 1-4, A –F • on line version available • Data Bank • 1. CCSD: organic and organometallic compds • ICSD: inorganic compds • PDB: protein data bank • PXRD: powder data

  4. X-ray Diffraction • General Introduction: • Electromagnetic spectrum • What is X-ray • Interaction between X-ray and material • Analogies between light microscopy and X-ray diffraction • Diffraction pattern from equidistant parallel slits • Diffraction pattern from one- and two- dimensional arrays • Relation of the Crystal lattice and Reciprocal lattice

  5. Electromagnetic spectrum

  6. What is X-ray

  7. X-ray Tube

  8. What is X-ray

  9. What is X-ray

  10. White radiation Characteristic X-ray

  11. Synchrotron radiation

  12. Introduction Interaction Between X-ray and material Incident Beam (X-ray) Absorbing Substance Heat Fluorescent X-rays Transmitted Bam Electrons Scattered X-rays Photoelectrons Compton recoil electrons Auger electrons Unmodified (Coherent) Compton modified (Incoherent)

  13. Analogies between light microscopy and X-ray diffraction

  14. Diffraction pattern from equidistant parallel slits

  15. Diffraction pattern from equidistant parallel slits

  16. Diffraction pattern from one- and two- dimensional arrays

  17. Relation of the Crystal lattice and Reciprocal lattice

  18. Molecules in Real space Diffraction pattern (reciprocal space)

  19. 500Å 100Å X-ray precession diagram of the hk0 zone of a hexagonal crystal of catalase Penicillium vitale (sp. Gr. P3121, a 145Å, c  180Å),   9. Cu K radiation image real space diffraction reciprocal space

  20. Destructive Constructive wave1 wave1 wave2 wave2 wave3 wave3  waven  waven Bragg Equation Bragg spectrometer

  21. Debye Scherrer Camera

  22. Powder diffractometer

  23. 50 20 30 40 60 70 80

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