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U.S. Department of Energy
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Catalytic conversion of polycyclic aromatic hydrocarbons: Mechanistic investigations of hydrogen transfer from an iron-based catalyst to alkylarenes

Conference ·
OSTI ID:214797
; ;  [1]
  1. Pacific Northwest Lab., Richland, WA (United States); and others

The mechanisms of hydrogen transfer from iron/sulfur-based catalysts to a series of coal model compounds have been investigated. The iron oxyhydroxides catalyst precursors are produced by the RTDS method with the actual catalytic species, an iron/sulfur catalyst, generated in situ by addition of sulfur and a hydrogen donor solvent. These catalysts promote the selective scission of thermally stable carbon-carbon bonds. Both the rate and the selectivity of catalytic induced bond scission are enhanced relative to the thermal hydrogen transfer pathways in 9,10-dihydrophenanthrene donor solvent. The reactivity of alkylated diphenylmethanes and derivatives of 1,2-diphenylethanol support a non-ionic free radical hydrogen transfer pathway. The selectivity of catalytic engendered bond scission is rationalized by an ipso displacement mechanism competing with a back-hydrogen transfer to the catalytic surface. This mechanism explains the scission of thermal stable coal linkages without the formation of light gases.

OSTI ID:
214797
Report Number(s):
CONF-950801--
Country of Publication:
United States
Language:
English