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Issue 10, 2000
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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)

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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.

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Publication details

The article was received on 01 Feb 2000, accepted on 05 Apr 2000 and first published on 28 Apr 2000


Article type: Communication
DOI: 10.1039/B000893L
Chem. Commun., 2000, 843-844

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    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)

    G. N. Sastry, H. S. Prakash Rao, P. Bednarek and U. D. Priyakumar, Chem. Commun., 2000, 843
    DOI: 10.1039/B000893L

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