Electron distribution and intracluster reaction in [Nan(CS 2)2]- negative ion clusters

Hironori Tsunoyama, Y. Yasumura, K. Ohshimo, F. Misaizu, K. Ohno

Research output: Contribution to journalArticle

Abstract

We have studied excess electron distributions of binary cluster negative ions consisting of sodium atoms and carbon disulfied molecules, Na n(CS2)2 - (n= 1 and 2) by using photoelectron spectroscopy and quantum chemical calculations based on the density functional theory (DFT). The photoelectron spectra indicate the existence of at least two isomers for both n=1 and 2 anions. From the DFT calculations, mainly two types of isomers are found to coexist in the Na(CS 2)2 -; one has a van der Waals (vdW) type CS2 dimer core and another has a covalently bonded C 2S4 core, both of which were known for CS2 molecular cluster anions. In the latter isomers, the C2S4 portion possesses almost two electrons, which is caused by the valence electron transfer from the Na atom. Also for n=2, we found the isomers of vdW and covalently bonded types. In the isomers with covalently bonded core, the C 2S4 portion has more than two electrons, an excess electron and double valence-electron transfer from both of the sodium atoms.

Original languageEnglish
Pages (from-to)89-92
Number of pages4
JournalEuropean Physical Journal D
Volume34
Issue number1-3
DOIs
Publication statusPublished - 2005 Jul
Externally publishedYes

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electron distribution
negative ions
isomers
electron transfer
sodium
density functional theory
anions
valence
atoms
electrons
molecular clusters
photoelectrons
dimers
photoelectron spectroscopy
carbon
molecules

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Atomic and Molecular Physics, and Optics

Cite this

Electron distribution and intracluster reaction in [Nan(CS 2)2]- negative ion clusters. / Tsunoyama, Hironori; Yasumura, Y.; Ohshimo, K.; Misaizu, F.; Ohno, K.

In: European Physical Journal D, Vol. 34, No. 1-3, 07.2005, p. 89-92.

Research output: Contribution to journalArticle

Tsunoyama, Hironori ; Yasumura, Y. ; Ohshimo, K. ; Misaizu, F. ; Ohno, K. / Electron distribution and intracluster reaction in [Nan(CS 2)2]- negative ion clusters. In: European Physical Journal D. 2005 ; Vol. 34, No. 1-3. pp. 89-92.
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