Issue 12, 1985

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

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.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1985, 2033-2036

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

H. Vogler, J. Chem. Soc., Perkin Trans. 2, 1985, 2033 DOI: 10.1039/P29850002033

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