How do the adsorption energies of TEAL·DMA and TEAL·DEA on the Ziegler–Natta catalyst surface compare?

Label:chem

Topic
The adsorption energy indicates the strength of interaction between the amine-TEAL complex and the Ziegler–Natta catalyst surface. Stronger adsorption leads to more effective blocking of active sites and greater catalyst deactivation.
Answer
The adsorption energy of TEAL·DMA on the Ziegler–Natta catalyst surface is −22.9 kcal/mol in the gas phase and −25.4 kcal/mol in n-hexane, while for TEAL·DEA, the energies are −18.2 kcal/mol and −14.9 kcal/mol, respectively. This shows that TEAL·DMA binds more strongly to the catalyst surface, especially in the non-polar solvent n-hexane, leading to more effective deactivation.
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