TY - JOUR
T1 - Structures of nitrogen oxides attached to anionic gold clusters au4-revealed by infrared multiple photon dissociation spectroscopy
AU - Yamaguchi, Masato
AU - Zhang, Yufei
AU - Lushchikova, Olga V.
AU - Bakker, Joost M.
AU - Mafuné, Fumitaka
N1 - Funding Information:
The authors gratefully acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)
Funding Information:
The authors gratefully acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory, and thank the FELIX staff, particularly Dr. Britta Redlich for her skillful assistance. This work was supported in part by JSPS KAKENHI, Grant-in-Aid for JSPS Fellows (No. JP18J21934). The authors used supercomputers at the Research Center for Computational Science, Okazaki Research Facilities, National Institutes of Natural Sciences.
Publisher Copyright:
© 2021 American Chemical Society.
PY - 2021/10/21
Y1 - 2021/10/21
N2 - The adsorption forms of NO and NO2 on anionic Au4- clusters were investigated by a combination of IR multiple photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations. For all three species investigated (Au4NO-, Au4N2O2-, and Au4NO2-), the spectra were found to be consistent with a Y-shaped Au4- cluster with triangular Au3 and one Au atom sticking out, on which NO and NO2 molecules adsorb molecularly. These species are considered as intermediates of the Au4-mediated disproportionation reaction of NO, Au4(NO)3- → Au4(NO2)(N2O)-. We discuss the reaction path on the basis of the found geometries and energies and conclude that the disproportionation reaction of NO can occur catalytically on the Au4- cluster.
AB - The adsorption forms of NO and NO2 on anionic Au4- clusters were investigated by a combination of IR multiple photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations. For all three species investigated (Au4NO-, Au4N2O2-, and Au4NO2-), the spectra were found to be consistent with a Y-shaped Au4- cluster with triangular Au3 and one Au atom sticking out, on which NO and NO2 molecules adsorb molecularly. These species are considered as intermediates of the Au4-mediated disproportionation reaction of NO, Au4(NO)3- → Au4(NO2)(N2O)-. We discuss the reaction path on the basis of the found geometries and energies and conclude that the disproportionation reaction of NO can occur catalytically on the Au4- cluster.
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U2 - 10.1021/acs.jpca.1c05381
DO - 10.1021/acs.jpca.1c05381
M3 - Article
C2 - 34636578
AN - SCOPUS:85118186298
SN - 1089-5639
VL - 125
SP - 9040
EP - 9047
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 41
ER -