Panda, Gautam ; Mishra, Jitendra K. ; Dinadayalane, T. C. ; Sastry, G. Narahari ; Negi, Devendra S. (2006) Hard-soft acid-base (HSAB) principle and difference in d-orbital configurations of metals explain the regioselectivity of nucleophilic attack to a carbinol in fridles craftsreaction catalyzed by lewis and protonic acids Indian Journal of Chemistry - Section B: Organic and Medicinal Chemistry, 45 (1). pp. 276-287. ISSN 0376-4699
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Abstract
The alkylations of aromatic compounds in presence of protonic acids yield two alkylated products arising from attack of a nucleophile (hard or soft) at two different carbocation (hard or soft) centers of a single compound. Hybrid density functional theory at B3LYP/6-31G* and B3LYP/6-31G levels and semiempirical calculations are employed to explain the observed trends in Friedel-Crafts reaction. Local HSAB principle based on local softness values explains the observed experimental reactivities.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to National Institute of Science Communication and Information Resources. |
| ID Code: | 107139 |
| Deposited On: | 01 Feb 2018 11:48 |
| Last Modified: | 01 Feb 2018 11:48 |
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