Sastry, G. Narahari ; Prakash Rao, H. Surya ; Priyakumar, U. Deva ; Bednarek, Pawel (2000) Effect of substitution on the curvature and bowl-to-bowl inversion barrier of bucky-bowls. Study of mono-substituted corannulenes (C19XH10, X = B−, N+, P+ and Si) Chemical Communications (10). pp. 843-844. ISSN 1359-7345
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Official URL: http://pubs.rsc.org/en/content/articlelanding/2000...
Related URL: http://dx.doi.org/10.1039/B000893L
Abstract
Ab initio MO and DFT calculations predict that replacement of a single carbon by an isoelectronic species on the corannulene skeleton can effectively arrest the bowl shape or flatten it and the bowl rigidity, curvature and relative stabilties of the positional isomers are solely controlled by the size of the substituent and site of substitution.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Royal Society of Chemistry. |
| ID Code: | 106212 |
| Deposited On: | 02 Aug 2017 06:38 |
| Last Modified: | 02 Aug 2017 06:38 |
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