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Journal Article

Simple theoretical considerations of counterion effects on proton chemical shifts in charged annulenes

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Vogler,  Helmut
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

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https://pubs.rsc.org/en/content/articlepdf/1985/p2/p29850002033
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https://doi.org/10.1039/P29850002033
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Citation

Vogler, H. (1985). Simple theoretical considerations of counterion effects on proton chemical shifts in charged annulenes. Journal of the Chemical Society, Perkin Transactions 1, 1985(12), 2033-2036. doi:10.1039/P29850002033.


Cite as: https://hdl.handle.net/21.11116/0000-0005-74BE-3
Abstract
Ring-current contributions to 1H chemical shifts of charged annulenes with (4m+ 2) and (4m)π-electrons are investigated by means of simple molecular orbital theory. It is shown that electrostatic and covalent interaction between annulene and counterion reduce the paratropism of (4m)π-electron annulenes but do not affect the diatropism of (4m+ 2)π-electron annulenes.