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Title: Al 3O y (y=0–5) clusters: Sequential oxidation, metal-to-oxide transformation, and photoisomerization

Abstract

Here, photoelectron spectra of a series of Al 3O $$\overline{y}$$ clusters (y=0–5) are presented at several photon energies: 532, 355, 266, and 193 nm. The electron affinities and low-lying electronic states of the Al 3O y clusters are reported. The photoelectron spectra clearly reveal a sequential oxidation behavior and how the electronic structure of the clusters evolves from that of a metal cluster at Al 3 to that of a complete oxide cluster at Al 3O 5: Two valence electrons of Al 3 are observed to be transferred to each additional O atom until Al 3O 5, where all the nine valence electrons of Al 3 are transferred to the five O atoms. The anion, Al 3O$$-\atop{5}$$, which can be viewed as (Al 3+) 3(O 2-) 5, is found to be a closed shell cluster, yielding an extremely high electron affinity for Al 3O 5 (4.92 eV). The electron affinities of the remaining clusters are: 1.90 (Al 3), 1.57 eV (Al 3O), 2.18 eV (Al 3O 2), 2.80 eV (Al 3O 3), and 3.58 eV (Al 3O 4). An electronic excited state of Al$$-\atop{3}$$ is also observed at 0.40 eV above the Al$$-\atop{3}$$ ground state. Isomers are observed for all the oxide clusters with lower electron affinities. Particularly, vibrational structures are observed for the two isomers of Al 3O$$-\atop{3}$$, as well as a photoisomerization process between the two isomers. Lastly, the structure and bonding of the oxide clusters are discussed based on the experimental data and the known structures for Al 3 and Al 3O.

Authors:
 [1];  [1];  [1];  [1];  [1]
  1. Washington State Univ., Richland, WA (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1490326
Report Number(s):
PNNL-SA-29725
Journal ID: ISSN 0021-9606
Grant/Contract Number:  
AC05-76RL01830
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 109; Journal Issue: 2; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Photoelectron Spectra; oxide; general oxide

Citation Formats

Wu, Hongbin, Li, Xi, Wang, Xue-Bin, Ding, Chuan-Fan, and Wang, Lai-Sheng. Al3Oy (y=0–5) clusters: Sequential oxidation, metal-to-oxide transformation, and photoisomerization. United States: N. p., 1998. Web. doi:10.1063/1.476583.
Wu, Hongbin, Li, Xi, Wang, Xue-Bin, Ding, Chuan-Fan, & Wang, Lai-Sheng. Al3Oy (y=0–5) clusters: Sequential oxidation, metal-to-oxide transformation, and photoisomerization. United States. doi:10.1063/1.476583.
Wu, Hongbin, Li, Xi, Wang, Xue-Bin, Ding, Chuan-Fan, and Wang, Lai-Sheng. Wed . "Al3Oy (y=0–5) clusters: Sequential oxidation, metal-to-oxide transformation, and photoisomerization". United States. doi:10.1063/1.476583. https://www.osti.gov/servlets/purl/1490326.
@article{osti_1490326,
title = {Al3Oy (y=0–5) clusters: Sequential oxidation, metal-to-oxide transformation, and photoisomerization},
author = {Wu, Hongbin and Li, Xi and Wang, Xue-Bin and Ding, Chuan-Fan and Wang, Lai-Sheng},
abstractNote = {Here, photoelectron spectra of a series of Al3O$\overline{y}$ clusters (y=0–5) are presented at several photon energies: 532, 355, 266, and 193 nm. The electron affinities and low-lying electronic states of the Al3Oy clusters are reported. The photoelectron spectra clearly reveal a sequential oxidation behavior and how the electronic structure of the clusters evolves from that of a metal cluster at Al3 to that of a complete oxide cluster at Al3O5: Two valence electrons of Al3 are observed to be transferred to each additional O atom until Al3O5, where all the nine valence electrons of Al3 are transferred to the five O atoms. The anion, Al3O$-\atop{5}$, which can be viewed as (Al3+)3(O2-)5, is found to be a closed shell cluster, yielding an extremely high electron affinity for Al3O5 (4.92 eV). The electron affinities of the remaining clusters are: 1.90 (Al3), 1.57 eV (Al3O), 2.18 eV (Al3O2), 2.80 eV (Al3O3), and 3.58 eV (Al3O4). An electronic excited state of Al$-\atop{3}$ is also observed at 0.40 eV above the Al$-\atop{3}$ ground state. Isomers are observed for all the oxide clusters with lower electron affinities. Particularly, vibrational structures are observed for the two isomers of Al3O$-\atop{3}$, as well as a photoisomerization process between the two isomers. Lastly, the structure and bonding of the oxide clusters are discussed based on the experimental data and the known structures for Al3 and Al3O.},
doi = {10.1063/1.476583},
journal = {Journal of Chemical Physics},
number = 2,
volume = 109,
place = {United States},
year = {1998},
month = {7}
}

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