Structure Determination by X-Ray Crystallography

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ISBN:	1461579414
ISBN 13:	9781461579410
Autor:	Palmer, R A/Ladd, M F C
Verlag:	Springer Verlag GmbH
Umfang:	xxiv, 502 S., 22 s/w Illustr., 502 p. 22 illus.
Erscheinungsdatum:	07.05.2012
Auflage:	1/2012
Produktform:	Kartoniert
Einband:	Kartoniert

Inhaltsangabe1 Crystal Geometry. I.- 1.1 Introduction.- 1.2 The Crystalline State.- 1.2.1 Reference Axes.- 1.2.2 Equation of a Plane.- 1.2.3 Miller Indices.- 1.2.4 Axial Ratios.- 1.2.5 Zones.- 1.3 Stereographic Projection.- 1.4 External Symmetry of Crystals.- 1.4.1 Two-Dimensional Point Groups.- 1.4.2 Three-Dimensional Point Groups.- Problems.- 2 Crystal Geometry.II.- 2.1 Introduction.- 2.2 Lattices.- 2.2.1 Two-Dimensional Lattices.- 2.2.2 Choice of Unit Cell.- 2.2.3 Three-Dimensional Lattices.- 2.3 Families of Planes and Interplanar Spacings.- 2.4 Reciprocal Lattice.- 2.5 Rotational Symmetries of Lattices.- 2.6 Space Groups.- 2.6.1 Two-Dimensional Space Groups.- 2.6.2 Limiting Conditions Governing X-Ray Reflection.- 2.6.3 Three-Dimensional Space Groups.- 2.6.4 Screw Axes.- 2.6.5 Glide Planes.- 2.6.6 Analysis of the Space-Group Symbol.- Problems.- 3 Preliminary Examination of Crystals by Optical and X-Ray Methods.- 3.1 Introduction.- 3.2 Polarized Light.- 3.3 Optical Classification of Crystals.- 3.3.1 Uniaxial Crystals.- 3.3.2 Birefringence.- 3.3.3 Biaxial Crystals.- 3.3.4 Interference Figures.- 3.4 Direction of Scattering of X-Rays by Crystals.- 3.4.1 Laue Equations for X-Ray Scattering.- 3.4.2 Bragg’s Treatment of X-Ray Diffraction.- 3.4.3 Equivalence of Laue and Bragg Treatments of X-Ray Diffraction.- 3.5 X-Ray Techniques.- 3.5.1 Laue Method.- 3.5.2 Oscillation Method.- 3.5.3 Ewald’s Construction.- 3.5.4 Weissenberg Method.- 3.5.5 Precession Method.- 3.6 Recognition of Crystal System.- Problems.- 4 Intensity of Scattering of X-Rays by Crystals.- 4.1 Introduction.- 4.2 Path Difference.- 4.3 Mathematical Representation of a Wave: Amplitude and Phase.- 4.4 Combination of Two Waves.- 4.5 Argand Diagram.- 4.6 Combination of N Waves.- 4.7 Combined Scattering of X-Rays from the Contents of the Unit Cell.- 4.7.1 Phase Difference.- 4.7.2 Scattering by Atoms.- 4.8 Structure Factor.- 4.9 Intensity Expressions.- 4.10 Phase Problem in Structure Analysis.- 4.11 Applications of the Structure Factor Equation.- 4.11.1 Friedel’s Law.- 4.11.2 Structure Factor for a Centrosymmetric Crystal.- 4.11.3 Limiting Conditions and Systematic Absences.- 4.11.4 Determination of Unit-Cell Type.- 4.11.5 Structure Factors and Symmetry Elements.- 4.11.6 Limiting Conditions from Screw-Axis Symmetry.- 4.11.7 Centrosymmetric Zones.- 4.11.8 Limiting Conditions from Glide-Plane Symmetry.- 4.12 Preliminary Structure Analysis.- 4.12.1 Practical Determination of Space Groups.- Problems.- 5 Methods in X-Ray Structure Analysis. I.- 5.1 Introduction.- 5.2 Analysis of the Unit-Cell Contents.- 5.2.1 Papaverine Hydrochloride,C20H21NO4 HCl.- 5.2.2 Naphthalene, C10H8.- 5.2.3 Molecular Symmetry.- 5.2.4 Special Positions.- 5.2.5 Nickel Tungstate, NiWO4.- 5.3 Two Early Structure Analyses Revisited.- 5.3.1 Sodium Chloride, NaCl.- 5.3.2 Pyrite, FeS2.- Problems.- 6 Methods in X-Ray Structure Analysis. II.- 6.1 Introduction.- 6.2 Fourier Series.- 6.2.1 Computation of ?(x) for a Square Wave.- 6.2.2 Exponential Form of Fourier Expressions.- 6.3 Representation of Crystal Structures by Fourier Series.- 6.3.1 Electron Density and Structure Factors.- 6.3.2 Electron Density Equations.- 6.3.3 Interpretation of Electron Density Distributions.- 6.4 Methods of Solving the Phase Problem.- 6.4.1 Number of Reflections in the Data Set.- 6.4.2 The Patterson Function.- 6.4.3 Examples of the Use of the Patterson Function in Solving the Phase Problem.- 6.4.4 Absolute Scale of Fo and Overall Temperature Factor.- 6.4.5 Heavy-Atom Method and Partial Fourier Synthesis.- 6.4.6 Difference-Fourier Synthesis.- 6.4.7 Limitations of the Heavy-Atom Method.- 6.4.8 Isomorphous Replacement.- 6.4.9 Further Details of the Isomorphous Replacement Phasing Procedure.- 6.4.10 Anomalous Scattering.- Problems.- 7 Direct Methods and Refinement.- 7.1 Introduction.- 7.2 Direct Methods of Phase Determination.- 7.2.1 Normalized Structure Factors.- 7.2.2 Structure Invariants and Origin-Fixing Reflections.- 7.2.3 Sign Determination-Centro

Artikelnummer: 6450154 Kategorie: Atomphysik, Kernphysik

Beschreibung

Beschreibung

X-ray crystallography provides us with the most accurate picture we can get of atomic and molecular structures in crystals. It provides a hard bedrock of structural results in chemistry and in mineralogy. In biology, where the structures are not fully crystalline, it can still provide valuable results and, indeed, the impact here has been revolutionary. It is still an immense field for young workers, and no doubt will provide yet more striking develop ments of a major character. It does, however, require a wide range of intellectual application, and a considerable ability in many fields. This book will provide much help. It is a very straightforward and thorough guide to every aspect of the subject. The authors are experienced both as research workers themselves and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of iliustrations and worked examples to aid the student to obtain a real grasp of the subject.