TY - JOUR
T1 - Mechanistic Insights into the Rhenium-Catalyzed Alcohol-To-Olefin Dehydration Reaction
AU - Korstanje, T.J.
AU - Jastrzebski, J.T.B.H.
AU - Klein Gebbink, R.J.M.
PY - 2013
Y1 - 2013
N2 - Rhenium-based complexes are powerful catalysts for the dehydration of
various alcohols to the corresponding olefins. Here, we report on both experimental
and theoretical (DFT) studies into the mechanism of the rhenium-catalyzed dehydration
of alcohols to olefins in general, and the methyltrioxorhenium-catalyzed
dehydration of 1-phenylethanol to styrene in particular. The experimental and theoretical
studies are in good agreement, both showing the involvement of several
proton transfers, and of a carbenium ion intermediate in the catalytic cycle.
AB - Rhenium-based complexes are powerful catalysts for the dehydration of
various alcohols to the corresponding olefins. Here, we report on both experimental
and theoretical (DFT) studies into the mechanism of the rhenium-catalyzed dehydration
of alcohols to olefins in general, and the methyltrioxorhenium-catalyzed
dehydration of 1-phenylethanol to styrene in particular. The experimental and theoretical
studies are in good agreement, both showing the involvement of several
proton transfers, and of a carbenium ion intermediate in the catalytic cycle.
U2 - 10.1002/chem.201300209
DO - 10.1002/chem.201300209
M3 - Article
SN - 0947-6539
VL - 19
SP - 13224
EP - 13234
JO - Chemistry-A European Journal
JF - Chemistry-A European Journal
IS - 39
ER -