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Issue 33, 2012
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Photoelectron imaging and theoretical calculations of gold–silver hydrides: comparing the characteristics of Au, Ag and H in small clusters

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Abstract

Structures and electronic properties of the mixed metal hydride anions AuAgH, Au2AgH, AuAg2H and their neutrals are studied using anionic photoelectron imaging and theoretical calculations. The three isomers of AuAgH are determined to be linear and those of AuAgH are determined to have Cs symmetry. The structures of Au2AgH, AuAg2H and their corresponding neutrals are determined to be planar with Cs or C2v symmetries. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) of these anions are reported. Similar to the homonuclear Aum and Agn clusters, the metal hydride anions with an even number of valence electrons have higher VDEs than those with an odd number. Variation of the VDEs of these metal hydride anions with interchange of Au, Ag and H (for example AumAgn → Aum−1Agn+ 1, or Aum−1AgnH) will be shown to be characterized by the electronegativities of Au, Ag and H. The results presented in this study provide important insights into the similar and different characteristics of these three elements in small clusters.

Graphical abstract: Photoelectron imaging and theoretical calculations of gold–silver hydrides: comparing the characteristics of Au, Ag and H in small clusters

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Article information


Submitted
03 Apr 2012
Accepted
06 Jul 2012
First published
06 Jul 2012

Phys. Chem. Chem. Phys., 2012,14, 11666-11672
Article type
Paper

Photoelectron imaging and theoretical calculations of gold–silver hydrides: comparing the characteristics of Au, Ag and H in small clusters

H. Xie, X. Xing, Z. Liu, R. Cong, Z. Qin, X. Wu, Z. Tang and H. Fan, Phys. Chem. Chem. Phys., 2012, 14, 11666
DOI: 10.1039/C2CP41164D

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