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Charge localization: The ion kinetic energy spectra of pyrazine, pyrimidine and pyridazine
Author(s) -
Bey J. H.,
Caprioli R. M.,
Ast T.
Publication year - 1972
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210060305
Subject(s) - pyridazine , pyrazine , pyrimidine , ion , heteroatom , fragmentation (computing) , kinetic energy , spectral line , chemistry , mass spectrum , stereochemistry , physics , organic chemistry , quantum mechanics , ring (chemistry) , computer science , operating system
The ion kinetic energy (IKE) spectra of pyrazine, pyrimidine, pyridazine, pyrazine‐ d 4 , pyrimidine‐ d 4 and pyridazine‐ d 4 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.