Adelaide Research & Scholarship
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https://hdl.handle.net/2440/4891
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| Type: | Journal article |
| Title: | Theoretical Barrier to Rotation in Substituted Triptycenes: A Semi-empirical and Ab Initio Study |
| Author: | Ciampini, M. Elsey, G. Taylor, D. |
| Citation: | Tetrahedron Letters: the international journal for the rapid publication of all preliminary communications in organic chemistry, 1997; 53(13):4661-4668 |
| Publisher: | PERGAMON-ELSEVIER SCIENCE LTD |
| Issue Date: | 1997 |
| ISSN: | 0040-4039 |
| Abstract: | The semi-empirical molecular orbital method AM1 has been found to accurately reproduce both the structure and barrier to rotation in a wide variety of 9-substituted triptycenes. Additionally, the general trends observed for derivatives which display the 'negative buttressing effect' are also reproduced well. |
| DOI: | 10.1016/S0040-4020(97)00135-X |
| Published version: | http://dx.doi.org/10.1016/s0040-4020(97)00135-x |
| Appears in Collections: | Aurora harvest 2 Chemistry publications |
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