Here, we report on
the abundant formation of phenol and molecular
hydrogen when benzene vapor was exposed to gas plasma generated by
+5.5 kV corona discharge of water vapor in argon in the absence of
oxygen. Systematic analysis using a series of isotopic standards (d
6-benzene, D2O, and H2
18O) and benzene derivatives (mono-, di-, trichlorobenzene,
and N,N-dimethylaniline) indicated
that the formation of phenol occurred through the reaction between
neutral benzene and the radical cation of water dimer, (H2O)2
+•. A two-step reaction mechanism
was proposed based on the results of experiments and DFT calculations:
(1) the formation of (C6H6...H2O)+• intermediate through electrophilic addition; (2)
the formation of C6H5OH+• through
the release of H2 from the (C6H6...H2O)+• intermediate. Our findings offer a
novel catalyst-free method to prepare phenol from benzene with phenol
selectivity >90%.
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