Iminoethenethiones, RN double bond C double bond C double bond S: characterization by neutralization-reionization mass spectrometry and G2(MP2) theory

Neutralization-reionization mass spectrometric studies reveal that (methylimino)ethenethione and iminoethane-thione radical cations are stable on the microsecond time scale. The imino-radical cation tautomerizes to H-CS-CN on generation from isoxazolones. Ab initio G2(MP2) level-based calculations yield the structures and stabilities of the two radical cations. Predicted IR and UV spectra and ionization energies of both radical cations agree well with experimental data.