Nihon Kessho Gakkaishi
Online ISSN : 1884-5576
Print ISSN : 0369-4585
ISSN-L : 0369-4585
5. Crystallography in Chemistry; Current Profile of Chemical Crystallography − Measurements and Analyses −
Introduction of Multipole Expansion Method for Electron Density Distribution Analysis and Its Application for Characterization of Chemical Bonds
Daisuke HASHIZUME
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2014 Volume 56 Issue 5 Pages 313-318

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Abstract

Multipole expansion method is frequently used for refinements on electron density distribution of organic compound and metal complex crystals aiming at understanding nature of chemical bonds and intra- and inter-molecular interactions. In this article, short introduction of the method, and procedures on experiments and refinements are presented. Electron density distribution analysis of a singlet biradical compound generated in C-P-C-P four-membered ring is also presented. Topological analysis based on Atoms in Molecules theory is performed.

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© 2014 The Crystallographic Society of Japan
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