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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 55, 1985 - Issue 4
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Original Articles

A theoretical study of ion-pairing effects on 1H-chemical shifts in negatively charged annulenes

Pages 951-956 | Received 01 Mar 1985, Accepted 30 Mar 1985, Published online: 12 Aug 2006
 

Abstract

The 1H-chemical shifts of negatively charged diatropic annulenes are studied by means of a semiempirical procedure. The effect on the proton shifts of the electrostatic and covalent interaction between the π-system of the annulene and the counter-ion is elucidated by explicitely considering the counterions in the calculation of the chemical shifts.

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