Electron counting in cationic and anionic silver clusters doped with a 3d transition-metal atom: Endo-: vs. exohedral geometry

Kento Minamikawa, Shun Sarugaku, Masashi Arakawa, Akira Terasaki

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Electron counting is a concept that often governs properties of molecules, clusters, and complexes. Here we explore silver clusters doped with a transition-metal atom, where it has been an issue whether or not 3d electrons delocalize to participate in electron counting. The experiment is performed on AgNM+/- (M = Sc-Ni) clusters to examine their stability through chemical reactivity, enabling systematic control of the number of valence electrons by the cluster size, the charge state, and the transition-metal element across the periodic table. It is revealed for 18-valence-electron clusters that 3d electrons participate in electron counting to show exceptional stability only when the transition-metal atom is endohedrally doped, except for Cr and Mn doping that forces 3d electrons to localize. We thus present new entries for superatomic metal clusters as well as a geometric factor that regulates the behavior of 3d electrons in the nanoscale regime. This journal is

Original languageEnglish
Pages (from-to)1447-1455
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume24
Issue number3
DOIs
Publication statusPublished - Jan 21 2022

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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