Catalytic conversion of polycyclic aromatic hydrocarbons: Mechanistic investigations of hydrogen transfer from an iron-based catalyst to alkylarenes
- Pacific Northwest Lab., Richland, WA (United States); and others
The utility of iron-based nanophase catalysts in the liquefaction of coal mid coal model compounds has been demonstrated to increase the efficiency of liquefaction during the early stages of catalytic coal hydrotreatment. Despite numerous model compound studies, the mechanism of {open_quotes}liquefaction{close_quotes} remains controversial. Wei and coworkers proposed a hydrogen atom - ipso displacement pathway, however, this pathway alone cannot explain the observed selectivity. Farcasiti and co-workers proposed a mechanism in which the alkyl-arene moiery is activated to undergo bond scission by electron transfer to the catalyst. However, a key step in this pathway, unimolecular scission of the radical cation, has been argued to be kinetically and thermodynamically unfavorable. This study performed investigations on the hydrogen transfer pathway.
- DOE Contract Number:
- AC06-76RL01830; FG06-89ER75522
- OSTI ID:
- 460129
- Report Number(s):
- CONF-950801--
- Journal Information:
- Preprints of Papers, American Chemical Society, Division of Fuel Chemistry, Journal Name: Preprints of Papers, American Chemical Society, Division of Fuel Chemistry Journal Issue: 4 Vol. 40; ISSN ACFPAI; ISSN 0569-3772
- Country of Publication:
- United States
- Language:
- English
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