DFT Reactivity Descriptors and Catalysis - Vrije Universiteit Brussel
DFT Reactivity Descriptors and Catalysis - Vrije Universiteit Brussel
DFT Reactivity Descriptors and Catalysis - Vrije Universiteit Brussel
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3.2 Lewis acid <strong>Catalysis</strong>: the role of softness<br />
• Catalytic activity of Lewis acid sites in Zeolites: much less frequently studied<br />
than Br∅nsted acid sites<br />
• Methylation of benzene catalyzed by Lewis acids BF 3 , AlCl 3 , Al(OH) 3 <strong>and</strong> a Lewis acid<br />
site (L1) of a zeolite involving a three coordinated Al<br />
A.A. Lamberov et al, J.Mol.Cat.A,<br />
158, 481 (2000)<br />
Methylating reagents<br />
CH 3 F, CH 3 Cl, CH 3 OH(2x) ≡<br />
CH 3 X<br />
AlCl<br />
e.g. CH 3 -Cl + 3<br />
CH 3<br />
+ HCl<br />
Pag.<br />
30-9-2008 29
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