结晶学 chap1_Introduction1.ppt

* ~ 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 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 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 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 Electromagnetic spectrum What is X-ray X-ray Tube What is X-ray What is X-ray White radiation Characteristic X-ray Synchrotron radiation Incident Beam (X-ray) Absorbing Substance Fluorescent X-rays Transmitted Bam Heat Scattered X-rays E