Changeover from (3,4) ene cyclization to (3,5) mode under the influence of Lewis acid catalyst: A quantum mechanical study
IR@NISCAIR: CSIR-NISCAIR, New Delhi - ONLINE PERIODICALS REPOSITORY (NOPR)
View Archive Info| Field | Value | |
| Creator |
Roy, Sukhendu
Chakrabarty, Kuheli Gupta, Sampad Narayan Das, Gourab Kanti |
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| Date |
2011-11-03T11:18:02Z
2011-11-03T11:18:02Z 2011-11 |
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| Identifier |
0975-0983(Online); 0376-4699(Print)
http://hdl.handle.net/123456789/13048 |
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| Description |
1637-1644
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. |
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| Language |
en_US
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| Publisher |
NISCAIR-CSIR, India
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| Rights |
<img src='http://nopr.niscair.res.in/image/cc-license-sml.png'> <a href='http://creativecommons.org/licenses/by-nc-nd/2.5/in' target='_blank'>CC Attribution-Noncommercial-No Derivative Works 2.5 India</a>
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| Source |
IJC-B Vol.50B(11) [November 2011]
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| Subject |
Lewis acid
(3,4) Ene cyclization Transition structures |
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| Title |
Changeover from (3,4) ene cyclization to (3,5) mode under the influence of Lewis acid catalyst: A quantum mechanical study
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| Type |
Article
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