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On the atmospheric oxidation of liquid toluene

PRITCHARD, Huw O

Physical chemistry chemical physics : PCCP, 2006-01, Vol.8 (39), p.4559-4562 [Periódico revisado por pares]

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Título:
On the atmospheric oxidation of liquid toluene
Autor: PRITCHARD, Huw O
Assuntos: Catalysis ; Chemistry ; Exact sciences and technology ; General and physical chemistry ; Photochemistry ; Physical chemistry of induced reactions (with radiations, particles and ultrasonics) ; Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
É parte de: Physical chemistry chemical physics : PCCP, 2006-01, Vol.8 (39), p.4559-4562
Notas: ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
Descrição: This communication presents preliminary computational results on the interaction between triplet (3Sigma) and singlet (1Sigma, 1Delta) oxygen molecules with toluene. All three oxygen species form very weak complexes with toluene and all also appear capable of abstracting a benzylic hydrogen atom to form the HO2 radical. Reaction with singlet molecular oxygen does not convincingly explain the formation of benzylhydroperoxide from toluene residues stored over a long time in brown glass bottles, and it is speculated that this may be a surface-catalysed photochemical reaction. The possible involvement of singlet oxygen molecules in the spontaneous ignition of tyre rubber and of soft coal is discussed briefly and the need for new experimental studies is stressed.
Editor: Cambridge: Royal Society of Chemistry
Idioma: Inglês

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