Abstract
The effect of alkyl groups on the UV spectrum, the CT spectrum with iodide as donor and the polarographic properties of 1,2- and 1,3-dithiolium cations has been studied and compared with the results of SCF-LCI-calculations. The chemical shifts of the ring and Me protons determined by NMR spectroscopy were correlated with the π-charges calculated for both cations. The non-uniform charge distribution of dithiolium cations is confirmed by NMR data. Due to the electron donating properties of alkyl groups the π-electron density of the heterocyclic ring increases. This results in the decrease of the electron affinity of the cations. This effect is the higher, the more positive the position is to which the alkyl groups are bound. The substituent effect on the UV spectra, however, is not determined by the molecular electron distribution in the ground state.
Published Version
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