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Issue 1, 2002
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Ring closure synthetic strategies toward buckybowls: benzannulation versus cyclopentannulation

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Abstract

Computations were performed on idealized retrosynthetic routes towards two model buckybowl compunds, sumanene (I) and pinakene (II). Two possible paths for sumanene (I) and six for pinakene (II) were analyzed. The computational results unequivocally predict that benzannulation is a significantly easier process compared to cyclopentannulation in the ring closure strategies in both cases. The suitability of the theoretical models for obtaining reliable trends is assessed and generalizations for the synthetic strategies directed towards buckybowls and C60 were made.

Graphical abstract: Ring closure synthetic strategies toward buckybowls: benzannulation versus cyclopentannulation

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Publication details

The article was received on 05 Sep 2001, accepted on 31 Oct 2001 and first published on 05 Dec 2001


Article type: Paper
DOI: 10.1039/B108030J
J. Chem. Soc., Perkin Trans. 2, 2002, 94-101

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    Ring closure synthetic strategies toward buckybowls: benzannulation versus cyclopentannulation

    T. C. Dinadayalane, U. D. Priyakumar and G. N. Sastry, J. Chem. Soc., Perkin Trans. 2, 2002, 94
    DOI: 10.1039/B108030J

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