Effects of Different Anions and Substrates

The adsorption of acetylene on different nickel halides has been studied by ab initio molecular orbital calculations (Huang and Yang, 1999). The strengths of adsorption on different nickel halides were calculated by ab initio molecular 

The effects of substrates on r-complexation were studied by olefin adsorption on monolayer AgNOs supported on various substrates (Padin and Yang, 2000). The substrates selected were y-AhOs, Si02, and MCM-41. The following trend for olefin adsorption was observed for these substrates  

The silica surface (on both silica gel and MCM-41) provides a better substrate due to the lack of Lewis acid sites (unUke y-Al203), and consequently the Ag atoms in these sorbents are more capable of forming jr-complexation bonds with olefins. Although the effect of the physical characteristics of a substrate, such as surface area and pore size, would have on adsorption is clear, the effect of the electronic properties needs to be studied further. 

The fundamental differences in interactions with different anions and cations can be further understood from the changes in orbital occupancies that give rise to the 7-donation bond and the d-ir backdonation bond. The magnitudes of 

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