Doubly charged ion mass spectra. 2—aromatic hydrocarbons

Abstract

AbstractDoubly charged ion mass spectra for 15 aromatic hydrocarbons have been obtained using a Nier‐Johnson geometry, Hitachi RMU‐7L mass spectrometer operating at 1.6 kV accelerating voltage. The doubly charged ion spectra have features that are characteristic of the individual compounds. Unsaturated aromatic molecules show intense molecular ions in contrast to saturated, substituted or heteroatom compounds which undergo extensive fragmentation. Ionization energies for forming doubly charged molecular ions and appearance energies for the prominent doubly charged fragment ions have been measured. Calculations of the SCF energies and structures of various doubly charged ions have been carried out. Measured and calculated ionization/appearance energies are in reasonable accord and lend support to the suggested ion structures.