Electronic and geometric stabilities of clusters with transition metal encapsulated by silicon

Kiichirou Koyasu, Junko Atobe, Minoru Akutsu, Masaaki Mitsui, Atsushi Nakajima

Research output: Contribution to journalArticle

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Abstract

Silicon clusters mixed with a transition metal atom, MSia, were generated by a double-laser vaporization method, and the electronic and geometric stabilities for the resulting clusters with transition metal encapsulated by silicon were examined experimentally. By means of a systematic doping with transition metal atoms of groups 3, 4, and 5 (M = Sc, Y, Lu, Ti, Zr, Hf, V, Nb, and Ta), followed by changes of charge states, we explored the use of an electronic closing of a silicon caged cluster and variations in its cavity size to facilitate metal-atom encapsulation. Results obtained by mass spectrometry, anion photoelectron spectroscopy, and adsorption reactivity toward H2O show that the neutral cluster doped with a group 4 atom features an electronic and a geometric closing at n = 16. The MSi16 cluster with a group 4 atom undergoes an electronic change in (i) the number of valence electrons when the metal atom is substituted by the neighboring metals with a group 3 or 5 atom and in (ii) atomic radii with the substitution of the same group elements of Zr and Hf. The reactivity of a halogen atom with the MSi 16 clusters reveals that VSi16F forms a superatom complex with ionic bonding.

Original languageEnglish
Pages (from-to)42-49
Number of pages8
JournalJournal of Physical Chemistry A
Volume111
Issue number1
DOIs
Publication statusPublished - 2007 Jan 11

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Silicon
Transition metals
transition metals
Atoms
silicon
electronics
atoms
Metals
closing
reactivity
metals
Halogens
Photoelectron spectroscopy
Vaporization
Encapsulation
halogens
Anions
Mass spectrometry
Substitution reactions
mass spectroscopy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Electronic and geometric stabilities of clusters with transition metal encapsulated by silicon. / Koyasu, Kiichirou; Atobe, Junko; Akutsu, Minoru; Mitsui, Masaaki; Nakajima, Atsushi.

In: Journal of Physical Chemistry A, Vol. 111, No. 1, 11.01.2007, p. 42-49.

Research output: Contribution to journalArticle

Koyasu, Kiichirou ; Atobe, Junko ; Akutsu, Minoru ; Mitsui, Masaaki ; Nakajima, Atsushi. / Electronic and geometric stabilities of clusters with transition metal encapsulated by silicon. In: Journal of Physical Chemistry A. 2007 ; Vol. 111, No. 1. pp. 42-49.
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