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- W2037242925 abstract "Abstract Electron impact mass spectra and ionization efficiency curves of fragment ions were taken for six benzanthrone homologues, i.e., benzanthrone, 1-azabenzanthrone, 8-azabenzanthrone, 3-bromobenzanthrone, 3-bromo-1-azabenzanthrone and 3-bromo-8-azabenzanthrone. The main fragmentation reactions were the elimination of CO and subsequently of HCN from the molecular ion Mi+ (i = 1,2) based on the observation of metastable ions and the value of appearance energies of fragment ions. The intensity of a doubly charged ion [MCOHCN (or C2H2 in benzanthrone)]2+ compared with an ion (MCO)2+ is strong for 8-azabenzanthrones, intermediate for 1-azabenzanthrones and weak for benzanthrones. This fact suggests that positive charges are localized on oxygen, nitrogen or other hetero-atoms immediately after the formation of a doubly charged molecular ion, that they exclude each other because of strong repulsion at short distances, and that this repulsive force promotes the above fragmentation. Approximate values of the first and second ionization potentials were interpreted from the easily achieved emission of non-bonding electrons from heteroatoms in the outer surface of molecules, which is correlated with the results of molecular orbital calculations." @default.
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- W2037242925 date "1989-04-01" @default.
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- W2037242925 title "Electrostatic repulsion between localized charges on hetero-atoms in a doubly charged ion and mechanism of ionization and fragmentation. Electron impact mass spectra of benzanthrone, 1-azabenzanthrone, 8-azabenzanthrone and their 3-bromo substituents" @default.
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- W2037242925 doi "https://doi.org/10.1016/0168-1176(89)85015-3" @default.
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