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|Title:||Assessment of -nucleophilicity of silyl enolates using philicity index|
|Keywords:||Theoretical chemistry;Density functional calculations;Silylenolates;Nucleophilicity;Philicity index;Group philicity|
|Abstract:||A study on the nucleophilic reactivity of silyl enol ethers and ketene silyl acetals has been carried out using conceptual density functional theory based reactivity descriptors. Silyl enolates having substituents of both electron releasing and electron withdrawing nature at various key positions of the molecules have been considered for the study. While intramolecular reactivity towards elctrophilic attack is studied on the basis of local philicity index, the intermolecular reactivity is assessed using group philicity. Role of β-methyl substituents are found to be crucial for nucleophilic reactivity of these systems.|
|Appears in Collections:||IJC-A Vol.49A(09) [September 2010]|
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