- 日本結晶学会誌 (ISSN:03694585)
- vol.56, no.5, pp.313-318, 2014-10-31 (Released:2014-10-31)
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.