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The [C 4 ,H 4 ,N 2 ] potential energy hypersurface relating to pyrazine and its hydrogen shift isomers has been investigated computationally using hybrid Hartree–Fock/density functional theory and through a variety of tandem mass spectrometry experiments (metastable ion, collision-induced dissociation, and neutralization reionization mass spectrometry). In addition to the conventional...
Azacyclohexatriene-3-ylidene (3), an isomer of pyridine (2) and its previously generated Hammick intermediate (1), is accessible in the gas phase by one-electron reduction of the corresponding radical cation in neutralization-reionization mass spectrometric experiments. The experimental finding that this carbene is stable on the microsecond time scale is in agreement with results of quantum chemical...
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