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Abstract
The electronic spectra of the thiol, anionic, protonated, and mesoionic forms of 8-mercaptoquinoline and the mesoionic form of 5-mercaptoquinoline and the 5-mercapto-N-methylquinolinium ion were calculated within the CNDO (complete neglect of differential overlap) approximation. The inclusion of the d orbitals of the sulfur atom in the AO basis has virtually no effect on the energies of the electron transitions of these compounds.
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