The role of nonadiabatic pathways and molecular rotations in the oxygen abstraction reaction on the Al(1 1 1) surface

Marcello Binetti; Olaf Weiße; Eckart Hasselbrink; Gil Katz; Ronnie Kosloff; Yehuda Zeiri

doi:10.1016/S0009-2614(03)00586-4

The role of nonadiabatic pathways and molecular rotations in the oxygen abstraction reaction on the Al(1 1 1) surface

Marcello Binetti, Olaf Weiße, Eckart Hasselbrink, Gil Katz, Ronnie Kosloff, Yehuda Zeiri

Research output: Contribution to journal › Article › peer-review

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Abstract

The adsorption dynamics of O₂ on Al(1 1 1) has been studied experimentally using molecular beams and laser spectroscopy as well as theoretically using a multi-dimensional multi-electronic surfaces model. Experiments find that: (i) abstractive chemisorption is operative at all translational energies; (ii) it increases markedly with translational energy; and (iii) rotational excitation of the molecules suppresses the abstraction process. The model calculations semi-quantitatively reproduce the experimental findings and demonstrate that: (i) a nonadiabatic description is necessary to reproduce the experimental results and that (ii) the rotational hindrance is due to a restricted cone of acceptance in direction of the surface normal.

Original language	English
Pages (from-to)	366-371
Number of pages	6
Journal	Chemical Physics Letters
Volume	373
Issue number	3-4
DOIs	https://doi.org/10.1016/S0009-2614(03)00586-4
State	Published - 20 May 2003
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/S0009-2614(03)00586-4

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title = "The role of nonadiabatic pathways and molecular rotations in the oxygen abstraction reaction on the Al(1 1 1) surface",

abstract = "The adsorption dynamics of O2 on Al(1 1 1) has been studied experimentally using molecular beams and laser spectroscopy as well as theoretically using a multi-dimensional multi-electronic surfaces model. Experiments find that: (i) abstractive chemisorption is operative at all translational energies; (ii) it increases markedly with translational energy; and (iii) rotational excitation of the molecules suppresses the abstraction process. The model calculations semi-quantitatively reproduce the experimental findings and demonstrate that: (i) a nonadiabatic description is necessary to reproduce the experimental results and that (ii) the rotational hindrance is due to a restricted cone of acceptance in direction of the surface normal.",

author = "Marcello Binetti and Olaf Wei{\ss}e and Eckart Hasselbrink and Gil Katz and Ronnie Kosloff and Yehuda Zeiri",

note = "Funding Information: We are pleased to acknowledge stimulating discussions with B. Lundqvist, A.C. Kummel, A.C. Luntz, G. Darling, S. Holloway and D. Bird. We thank Claudia Wesenberg and Kristian La{\ss} for their help during the final stages of the experiment. We acknowledge support by the EU through the TMR-program (ERB FMRX-CT98-0249) and by GIF and IAEC-ICHE.",

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doi = "10.1016/S0009-2614(03)00586-4",

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T1 - The role of nonadiabatic pathways and molecular rotations in the oxygen abstraction reaction on the Al(1 1 1) surface

AU - Binetti, Marcello

AU - Weiße, Olaf

AU - Hasselbrink, Eckart

AU - Katz, Gil

AU - Kosloff, Ronnie

AU - Zeiri, Yehuda

N1 - Funding Information: We are pleased to acknowledge stimulating discussions with B. Lundqvist, A.C. Kummel, A.C. Luntz, G. Darling, S. Holloway and D. Bird. We thank Claudia Wesenberg and Kristian Laß for their help during the final stages of the experiment. We acknowledge support by the EU through the TMR-program (ERB FMRX-CT98-0249) and by GIF and IAEC-ICHE.

PY - 2003/5/20

Y1 - 2003/5/20

N2 - The adsorption dynamics of O2 on Al(1 1 1) has been studied experimentally using molecular beams and laser spectroscopy as well as theoretically using a multi-dimensional multi-electronic surfaces model. Experiments find that: (i) abstractive chemisorption is operative at all translational energies; (ii) it increases markedly with translational energy; and (iii) rotational excitation of the molecules suppresses the abstraction process. The model calculations semi-quantitatively reproduce the experimental findings and demonstrate that: (i) a nonadiabatic description is necessary to reproduce the experimental results and that (ii) the rotational hindrance is due to a restricted cone of acceptance in direction of the surface normal.

AB - The adsorption dynamics of O2 on Al(1 1 1) has been studied experimentally using molecular beams and laser spectroscopy as well as theoretically using a multi-dimensional multi-electronic surfaces model. Experiments find that: (i) abstractive chemisorption is operative at all translational energies; (ii) it increases markedly with translational energy; and (iii) rotational excitation of the molecules suppresses the abstraction process. The model calculations semi-quantitatively reproduce the experimental findings and demonstrate that: (i) a nonadiabatic description is necessary to reproduce the experimental results and that (ii) the rotational hindrance is due to a restricted cone of acceptance in direction of the surface normal.

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U2 - 10.1016/S0009-2614(03)00586-4

DO - 10.1016/S0009-2614(03)00586-4

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SN - 0009-2614

VL - 373

SP - 366

EP - 371

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3-4

ER -

The role of nonadiabatic pathways and molecular rotations in the oxygen abstraction reaction on the Al(1 1 1) surface

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