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Validation of Chemical Bonding by Charge-Density Descriptors: The Current Scenario

  • Review Article
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Journal of the Indian Institute of Science Aims and scope

Abstract

Electron-density distribution influences the chemical and physical properties of a material. Modern experimental and theoretical charge-density methods have become reliable in determining the nature of chemical bonding. Latest developments in the field of X-ray sources, detector technologies, and new analytical descriptors have helped it evolve over the years as a dynamic area of advanced crystallography. This review provides a short introduction to charge-density methods and highlights recent experimental results to understand the chemical concepts and material properties better. Potential applications of charge-density analysis and possible directions are discussed.

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Figure 1:

Reproduced with permission from64 Copyright 2016: American Chemical Society.

Figure 2:

Adapted with permission from Ref.92 Copyright 2016: International Union of Crystallography.

Figure 3:

Figures are adapted with permission from Ref.7 and readers are advised to refer to Ref.90 for complete details. Copyright 2016: International Union of Crystallography.

Figure 4:

Adapted with permission from. 106 Copyright 2016: Nature Publishing Group.

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Acknowledgement

I thank Prof. Eiji Nishibori, Prof. Bo B. Iversen and the University of Tsukuba for research facilities and funding.

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  1. Division of Physics, Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba, 305-8571, Japan

    Venkatesha R. Hathwar

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Hathwar, V.R. Validation of Chemical Bonding by Charge-Density Descriptors: The Current Scenario. J Indian Inst Sci 97, 281–298 (2017). https://doi.org/10.1007/s41745-017-0027-3

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  • DOI: https://doi.org/10.1007/s41745-017-0027-3

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