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25th European Crystallographic Meeting, ECM 25, İstanbul, 2009 Acta Cryst. (2009). A65, s 275 Page s 275 electron density in terms of multipole model are derived to investigate the electron density distribution and chemical bonds. All chemical bonds will be characterized based on atoms in molecule theory, and classified by the location of the bond critical point (BCP) and its associated topological properties. The XAS of Mo K-edge is used to characterize the electronic states of both complexes and the light induced transformation of complex 2. All experimental observations will be compared with the density functional theory calculation. The different chemical reaction properties between 1 and 2 will be rationalized based on all experimental and theoretical results.

Crystal structure of 2-nitro-1,3,4,4-tetrachloro-1-mono(2-methylphenylthio)-1,3-butadiene compound