Structures of nitrogen oxides attached to anionic gold clusters au4-revealed by infrared multiple photon dissociation spectroscopy

Masato Yamaguchi, Yufei Zhang, Olga V. Lushchikova, Joost M. Bakker, Fumitaka Mafuné

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2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)9040-9047
Number of pages8
JournalJournal of Physical Chemistry A
Volume125
Issue number41
DOIs
Publication statusPublished - Oct 21 2021
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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