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Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.49A [2010] >
IJC-A Vol.49A(09) [September 2010] >
| Title: | Assessment of  -nucleophilicity of silyl enolates using philicity index |
| Authors: | Deuri, Sanjib
Phukan, Prodeep |
| Keywords: | Theoretical chemistry
Density functional calculations
Silylenolates
Nucleophilicity
Philicity index
Group philicity |
| Issue Date: | Sep-2010 |
| Publisher: | CSIR |
| 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. |
| Page(s): | 1206-1211 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Source: | IJC-A Vol.49A(09) [September 2010]
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