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The 2(N+1)2 rule for spherical aromaticity: further validation

MPS-Authors

Chen,  Zhongfang
Institut für Organische Chemie, Universität Erlangen-Nürnberg;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Thiel,  Walter
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

Chen, Z., Jiao, H., Hirsch, A., & Thiel, W. (2001). The 2(N+1)2 rule for spherical aromaticity: further validation. Journal of Molecular Modeling, 7(5), 161-163. doi:10.1007/s008940100021.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0024-0816-C
Abstract
Maximum spherical aromaticity occurs in icosahedral fullerenes when the valence π-shells are completely filled with 2(N+1)2 electrons. Ab initio calculations of nucleus-independent chemical shifts show that this rule can also be applied to less symmetrical small fullerenes and hydrogen clusters.