Abstract

Precise knowledge of the strength and nature of chemical bonding in organic crystals is paramount to understanding both the chemical and physical properties of a material. The crystal structure determination from routine X-ray diffraction data provides geometrical information about intra- and intermolecular interactions in a crystal. Indeed, the geometrical details based on bond lengths and bond angles are often insufficient to discuss the hierarchy of different interactions for the stability of the crystal structure. Modern experimental and theoretical charge-density (CD) methods provide accurate measurement of the electron-density distribution in crystalline solids using high-resolution X-ray data. Nowadays CD analysis has become a reliable method in determining the nature of chemical bonding and is widely applied for various chemical and biological systems. In this chapter, a brief introduction to the CD method, experimental requirements and interesting experimental results on organic compounds are discussed to demonstrate the success and application of the CD method. Recent developments in experimental CD analysis under high pressure for organic compounds are also described.

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