Philip Coppens

X-Ray Charge Densities and Chemical Bonding (eBook, PDF)

• Format: PDF

Produktbeschreibung

This book deals with the electron density distribution in molecules and solids as obtained experimentally by X-ray diffraction. It is a comprehensive treatment of the methods involved, and the interpretation of the experimental results in terms of chemical bonding and intermolecular interactions. Inorganic and organic solids, as well as metals, are covered in the chapters dealing with specific systems. As a whole, this monograph is especially appealing because of its broad interface with numerous disciplines. Accurate X-ray diffraction intensities contain fundamental information on the charge distribution in crystals, which can be compared directly with theoretical results, and used to derive other physical properties, such as electrostatic moments, the electrostatic potential and lattice energies, which are accessible by spectroscopic and thermodynamic measurements. Consequently, the work will be of great interest to a broad range of crystallographers and physical scientists.

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Produktdetails

• Verlag: Oxford University Press
• Erscheinungstermin: 8. Mai 1997
• Englisch
• ISBN-13: 9780195356946
• Artikelnr.: 38144072

Inhaltsangabe

1.: Scattering of X-rays and Neutrons
2.: The Effect of Thermal Vibrations on the Intensities of the Diffracted Beams
3.: Chemical Bonding and the X-ray Scattering Formalism
4.: Least-squares Methods and Their Use in Charge Density Analysis
5.: Fourier Methods and Maximum Entropy Enhancement
6.: Space Partitioning and the Analysis of the Total Charge Density
7.: The Electrostatic Moments of a Charge Distribution
8.: X-ray Diffraction and the Electrostatic Potential
9.: The Electron Density and the Lattice Energy of Crystals
10.: Charge Density Studies of Transition Metal Compounds
11.: The Charge Density in Extended Solids
12.: Electron Density Studies of Molecular Crystals