Charge localization: The ion kinetic energy spectra of pyrazine, pyrimidine and pyridazine

Abstract
The ion kinetic energy (IKE) spectra of pyrazine, pyrimidine, pyridazine, pyrazine‐d4, pyrimidine‐d4 and pyridazine‐d4 have shown that these compounds can more readily be distinguished on the basis of IKE spectra than mass spectra. Studies of the fragmentation of various doublycharged ions have given information about the localization of charge on the heteroatoms and on the structures of the ions themselves. Transition states from which fragmentation occurs for doublycharged ions with loss of either [H]+ or [D]+ have shown large differences of the order 1 Å between the intercharge distances in the two cases.

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