Characterization of Labile Chemical Bonds and Reaction Process Analysis Based on Electron Density Distribution（EDD）Analysis

Abstract

Labile chemical bonds generate an intermediate state of chemical reaction and exhibit an ultimate of orbital interaction forming a chemical bond. Detailed investigation of such bonds construct a solid basis for understanding the origin of chemical bond and bond formation. Herein the author describes electronic structures of labile chemical bonds such as hypervalent bonds, small-cyclic alkyne, and intermediate states of C-C bond cleavage, derived by experimental X-ray electron density distribution（EDD）analysis. A novel approach is also presented for analyzing the mechanism of catalytic reaction based on EDD analysis closely related to spectroscopy and theoretical calculations.