EFFECT OF MOLECULAR STRUCTURE ON IONIC DECOMPOSITION .I. AN ELECTRON IMPACT STUDY OF 7 C8H8 ISOMERS

The ionization and fragmentation processes of seven C8H8 isomers (styrene, cyclooctatetraene, cubane, benzocyclobutene, barrelene, and syn- and anti-tricyclo[4.2.0.02,5]-3,7-octadiene) were determined. Reasonably complete fragmentation schemes were constructed through the use of metastable and energetic data. The structures of many of the fragment ions were postulated by comparing their heats of formation with that of other ions of corresponding mass to charge ratio. Where there were no experimentally determined heats of formation available for comparison, the heats of formation of the ions were compared to values calculated by the group equivalent method for various structures. It was found in some instances that more than one structure was energetically feasible. © 1969, American Chemical Society. All rights reserved.