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Experimental Observation of the Nature of Weak Chemical Bonds in Labile Compounds
Author(s) -
Hashizume Daisuke
Publication year - 2017
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.201605175
Subject(s) - hypervalent molecule , delocalized electron , chemical bond , materials science , intermolecular force , chemical physics , electron density , valence (chemistry) , electron , valence electron , crystallography , atom (system on chip) , computational chemistry , molecule , chemistry , organic chemistry , physics , iodine , quantum mechanics , computer science , metallurgy , embedded system
Accurate single‐crystal X‐ray diffraction data afford a total electron density distribution for crystalline materials by employing an aspherical atomic model with comparable accuracy to that of theoretical calculations. Chemical bonds and intermolecular interactions in the crystalline state are characterized based on the electron density distribution of valence electrons, as well as structural parameters. Herein, the bonding nature of weak chemical bonds in labile compounds, such as hypervalent bonds and delocalized π‐bonds, is explored on the basis of electronic structures derived from experimental electron density distribution analyses. In addition, the visualization of a radicalic orbital distribution on an sp 2 ‐hydridized carbon atom is demonstrated.