Abstract

Spectral characteristics, an X-ray crystal structure, and molecular orbital calculations indicate that (pyridinylmethylidene) dithioles 3, prepared from butadiynyl precursors 4 and hydrogen sulfide in basic methanol, are analogous in their bonding to the parent 1-aza-6,6aλ 4 -dithiapentalenes 1 which, according to ab initio studies at the Hartree-Fock level, is best reprented as an (iminomethylidene)dithiole

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