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Theoretical study of cation–π interactions of Li+, Na+, and K+ with [6]helicene

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Abstract

Using quantum-mechanical calculations, the most probable structures of cation–π complexes of Li+, Na+, and K+ with [6]helicene were derived. Further, the corresponding interaction energies of these complexes were calculated; the absolute values of these calculated energies increase in the series of K+ < Na+ < Li+.

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Acknowledgments

This work was supported by the Grant Agency of Faculty of Environmental Sciences, Czech University of Life Sciences, Prague, Project No.: 42900/1312/3114 “Environmental Aspects of Sustainable Development of Society” and by the Czech Ministry of Education, Youth, and Sports (Project MSM 6046137307).

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Authors and Affiliations

  1. University of Chemistry and Technology, Prague, Czech Republic

    Stanislav Böhm, Petr Vaňura & David Sýkora

  2. Faculty of Environmental Sciences, Czech University of Life Sciences, Prague, Czech Republic

    Emanuel Makrlík & Blanka Klepetářová

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  1. Stanislav Böhm
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  2. Emanuel Makrlík
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  3. Petr Vaňura
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  4. Blanka Klepetářová
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  5. David Sýkora
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Correspondence to Emanuel Makrlík.

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Böhm, S., Makrlík, E., Vaňura, P. et al. Theoretical study of cation–π interactions of Li+, Na+, and K+ with [6]helicene. Monatsh Chem 146, 1229–1231 (2015). https://doi.org/10.1007/s00706-014-1393-4

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  • DOI: https://doi.org/10.1007/s00706-014-1393-4

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