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Creators/Authors contains: "Samudrala, Kavyasripriya K"

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  1. ; ; ; ; (, Inorganic Chemistry)
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  2. ; ; ; ; (, Angewandte Chemie International Edition)
    Abstract Al(OC(CF3)3)(PhF) reacts with silanols present on partially dehydroxylated silica to form well‐defined ≡SiOAl(OC(CF3)3)2(O(Si≡)2) (1).27Al NMR and DFT calculations with a small cluster model to approximate the silica surface show that the aluminum in1adopts a distorted trigonal bipyramidal coordination geometry by coordinating to a nearby siloxane bridge and a fluorine from the alkoxide. Fluoride ion affinity (FIA) calculations follow experimental trends and show that1is a stronger Lewis acid than B(C6F5)3and Al(OC(CF3)3)(PhF) but is weaker than Al(OC(CF3)3) andiPr3Si+. Cp2Zr(CH3)2reacts with1to form [Cp2ZrCH3][≡SiOAl(OC(CF3)3)2(CH3)] (3) by methide abstraction. This reactivity pattern is similar to reactions of organometallics with the proposed strong Lewis acid sites present on Al2O3. 
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