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Indian Journal of Chemistry -Section B (IJC-B) >
IJC-B Vol.50B [2011] >
IJC-B Vol.50B(11) [November 2011] >
| Title: | Changeover from (3,4) ene cyclization to (3,5) mode under the influence of Lewis acid catalyst: A quantum mechanical study |
| Authors: | Roy, Sukhendu
Chakrabarty, Kuheli
Gupta, Sampad Narayan
Das, Gourab Kanti |
| Keywords: | Lewis acid
(3,4) Ene cyclization
Transition structures |
| Issue Date: | Nov-2011 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Transition
structures (TSs) for the Lewis acid catalyzed ene cyclization reaction have
been optimized quantum mechanically and the selectivity for the (3,5) ene
cyclized product have been compared with that of (3,4) product. Analysis of the
result shows that the geometric deformation of the TS produced due to the
presence of Lewis acid in the environment plays a significant role in
determining the selectivity of (3,5) ene product. This geometric deformation
originates from the enlarged dihedral angle around the forming carbon-carbon
bond in the Lewis acid catalyzed TS. |
| Page(s): | 1637-1644 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0983(Online); 0376-4699(Print) |
| Source: | IJC-B Vol.50B(11) [November 2011]
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