Thermochemistry and Product Studies of the Isomerization and Cracking of Hydroaromatic Molecules and the Reactions of Hydrogen Atom Produced from Radical Oxidation Intermediates of Hydroaromatic Molecules

摘要

The oxidation of hydroaromatic molecules of donor solvents and of hydroaromatic structure of coal during liquefaction occurs in stepwise fashion involving hydroaromatic radicals. For the prototype of hydroaromatic donors, tetralin, the formation of intermediate radicals leads to rearrangements and fragmentations. In addition, the scission of hydrogen atom from intermediate radicals leads to hydrocracking, production of H sub 2 and other reactions. In this paper, we present data from two sets of experiments bearing on the mechanism and energetics of hydroaromatic ring opening reactions, and present evidence showing that scission of hydrogen atom occurs in solution at 427 exp 0 C during the decomposition of 1,2-dihydronaphthalene (DHN), an oxidation intermediate in coal liquefaction, in tetralin. (ERA citation 08:050514)