Double-bond activation in unsaturated aldehydes: conversion of acrolein to propene and ketene on Pt(111) surfaces

Jesús, Juan Carlos de; Zaera, Francisco

doi:10.1016/s1381-1169(98)00169-1

Cited by 50 publications

(44 citation statements)

References 17 publications

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“…The intensity of these peaks decreased dramatically when changing the catalyst from Pt/SiO 2 to Pt-Sn/SiO 2 . Decarbonylation was also observed in the TPD of acrolein over Pt(1 1 1) surface [179,180] and a decarbonylation mechanism was proposed besides TPD also by RAIRS [179]. In Fig.…”

Section: Side Reactionsmentioning

confidence: 73%

“…Challenge is to link this information with the catalytic activities and selectivities during hydrogenation and, finally develop active and selective catalysts. Adsorption of unsaturated aldehydes has been investigated by TPD [179,180], RAIRS [179,180], IR [150] and DRIFTS techniques [72]. One of the recently used tools is quantum chemical calculation, which gives the most stable adsorption structures [135] and reveal the activation barriers for the reaction [190].…”

Section: Adsorption Studiesmentioning

confidence: 99%

“…Adsorption of acrolein and crotonaldehyde has been investigated by RAIRS and TPD [179,180] as well as with infrared reflection absorption [192]. Acrolein was adsorbed in a flat geometry on Pt(1 1 1) according to RAIRS measurement at low coverage (Fig.…”

Section: Experimental Adsorption Studiesmentioning

confidence: 99%

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Chemoselective hydrogenation of carbonyl compounds over heterogeneous catalysts

Mäki‐Arvela

Hájek

Salmi

et al. 2005

Applied Catalysis A: General

592

478

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Section: Side Reactionsmentioning

confidence: 73%

Section: Adsorption Studiesmentioning

confidence: 99%

See 1 more Smart Citation

Chemoselective hydrogenation of carbonyl compounds over heterogeneous catalysts

Mäki‐Arvela

Hájek

Salmi

et al. 2005

Applied Catalysis A: General

592

478

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“…The presence of more strongly bonded molecules could not be excluded as it will be discussed below. It could not correspond to a multilayer since, according to Zaera et al, 7 the dosing temperature (180 K) is too high. However, the comparison of this spectrum with gas phase IR results is addressed and allows the identification of HREELS bands for the weakly interacting molecules.…”

Section: Dft Calculations and Hreels Measurementsmentioning

confidence: 99%

Coverage Dependent Adsorption of Acrolein on Pt(111) from a Combination of First Principle Theory and HREELS Study

et al. 2004

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A combination of GGA total-energy calculations and vibrational spectra simulations with HREELS experiments is reported to obtain new insights in the stable adsorption modes of the acrolein molecule on the Pt(111) surface. The simulations of the EELS spectra have allowed us to interpret the evolution of the experimental spectra, as a function of gas exposure. A strongly bound and coverage dependent chemisorption structure is shown. The 1 L spectrum has been assigned to a low coverage η 3 -cis and η 4 -trans mixed phase, with the molecule lying flat on the surface and interacting by both CdC and CdO bonds. The modified spectrum for an exposure of 2 L is associated with a change in the molecule adsorption structure toward a high coverage η 2 -cis and η 2 -trans form on the surface in complete agreement with the DFT total energy results.

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“…6 The adsorption and reactivity of 2-propenal on surfaces has also been the subject of various studies, using a large variety of methods. [7][8][9][10][11] Although a large number of studies have been devoted to the structural and vibrational properties of the ground and first excited states of gas phase 2-propenal, 2,12-16 very little is known about higher excited states. The goal of the present study is to get information on the lowest energy unoccupied molecular orbitals and on the interaction between the CϭC and CϭO * orbitals.…”

Section: Introductionmentioning

confidence: 99%

Core shell excitation of 2-propenal (acrolein) at the O 1s and C 1s edges: An experimental and ab initio study

Duflot

Flament

Walker

et al. 2003

The Journal of Chemical Physics

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Articles you may be interested inSulfur 1s near edge x-ray absorption fine structure spectroscopy of thiophenic and aromatic thioether compounds J. Chem. Phys. 138, 214302 (2013); 10.1063/1.4807604 Strong double excitation and open-shell features in the near-edge x-ray absorption fine structure spectroscopy of ferrocene and ferrocenium compounds Ab initio near edge soft x-ray absorption fine structure (AI-NEXAFS) spectrum of ethyleneThe carbon and oxygen K-shell spectra of gaseous 2-propenal ͑acrolein͒ have been measured using the inner-shell electron energy loss spectroscopy method. Large scale ab initio configuration interaction calculations have been carried out to enable firm assignments of the observed bands. The overall shapes of the spectra are similar to previous low resolution monolayer and multilayer phases NEXAFS spectra recorded by photoabsorption of synchrotron radiation, but the spectral bands are much better resolved than the earlier ones. The spectra are dominated by excitation of * type states and by interaction between the CϭC and CϭO * orbitals.

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Double-bond activation in unsaturated aldehydes: conversion of acrolein to propene and ketene on Pt(111) surfaces

Cited by 50 publications

References 17 publications

Chemoselective hydrogenation of carbonyl compounds over heterogeneous catalysts

Chemoselective hydrogenation of carbonyl compounds over heterogeneous catalysts

Coverage Dependent Adsorption of Acrolein on Pt(111) from a Combination of First Principle Theory and HREELS Study

Core shell excitation of 2-propenal (acrolein) at the O 1s and C 1s edges: An experimental and ab initio study

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