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Application of the Selective Energy Transfer Model to Account for an Isokinetic Response in the Gas Phase Reductive Cleavage of Hydroxyl, Carbonyl and Carboxyl Groups from Benzene Over Nickel/Silica

Keane, Mark A. and Larsson, Ragnar LU (2009) In Catalysis Letters 129(1-2). p.93-103
Abstract
The gas phase hydrodeoxygenation of a series of aromatic alcohols, aldehydes and acids has been examined over Ni/SiO2. Compensation behaviour is established with an isokinetic temperature (518 +/- A 21 K) that is consistent with with the point of intersection of the Arrhenius lines. This is accounted for using the Selective Energy Transfer model that is based on resonance between the catalytic Ni-H vibration and out-of plane C-H vibrations of the aromatic reactants with a transferral of resonance energy from the catalyst to generate the "activated complex". The calculated wave number of this vibration mode is 720 +/- A 29 cm(-1) with an associated anhamonicity of -3.3 +/- A 0.9 cm(-1). Our analysis suggests that the oxygenated aromatic is... (More)
The gas phase hydrodeoxygenation of a series of aromatic alcohols, aldehydes and acids has been examined over Ni/SiO2. Compensation behaviour is established with an isokinetic temperature (518 +/- A 21 K) that is consistent with with the point of intersection of the Arrhenius lines. This is accounted for using the Selective Energy Transfer model that is based on resonance between the catalytic Ni-H vibration and out-of plane C-H vibrations of the aromatic reactants with a transferral of resonance energy from the catalyst to generate the "activated complex". The calculated wave number of this vibration mode is 720 +/- A 29 cm(-1) with an associated anhamonicity of -3.3 +/- A 0.9 cm(-1). Our analysis suggests that the oxygenated aromatic is weakly adsorbed on the catalyst and surface mobility facilitates reaction with adsorbed hydrogen atoms. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Isokinetic temperature, Selective energy transfer model, Anharmonicity, Catalytic hydrodeoxygenation, Ni/silica
in
Catalysis Letters
volume
129
issue
1-2
pages
93 - 103
publisher
Springer
external identifiers
  • wos:000264318300014
  • scopus:62949233096
ISSN
1011-372X
DOI
10.1007/s10562-008-9838-1
language
English
LU publication?
yes
id
86c02298-33c8-45cc-8e35-c2d20af8ff03 (old id 1401909)
date added to LUP
2009-05-28 14:38:49
date last changed
2017-01-01 04:35:30
@article{86c02298-33c8-45cc-8e35-c2d20af8ff03,
  abstract     = {The gas phase hydrodeoxygenation of a series of aromatic alcohols, aldehydes and acids has been examined over Ni/SiO2. Compensation behaviour is established with an isokinetic temperature (518 +/- A 21 K) that is consistent with with the point of intersection of the Arrhenius lines. This is accounted for using the Selective Energy Transfer model that is based on resonance between the catalytic Ni-H vibration and out-of plane C-H vibrations of the aromatic reactants with a transferral of resonance energy from the catalyst to generate the "activated complex". The calculated wave number of this vibration mode is 720 +/- A 29 cm(-1) with an associated anhamonicity of -3.3 +/- A 0.9 cm(-1). Our analysis suggests that the oxygenated aromatic is weakly adsorbed on the catalyst and surface mobility facilitates reaction with adsorbed hydrogen atoms.},
  author       = {Keane, Mark A. and Larsson, Ragnar},
  issn         = {1011-372X},
  keyword      = {Isokinetic temperature,Selective energy transfer model,Anharmonicity,Catalytic hydrodeoxygenation,Ni/silica},
  language     = {eng},
  number       = {1-2},
  pages        = {93--103},
  publisher    = {Springer},
  series       = {Catalysis Letters},
  title        = {Application of the Selective Energy Transfer Model to Account for an Isokinetic Response in the Gas Phase Reductive Cleavage of Hydroxyl, Carbonyl and Carboxyl Groups from Benzene Over Nickel/Silica},
  url          = {http://dx.doi.org/10.1007/s10562-008-9838-1},
  volume       = {129},
  year         = {2009},
}