Electronic properties of substituted aluminum clusters by boron and carbon atoms (AlnBm-/AlnCm -); New insights into s-p hybridization and perturbed shell structures

Hiroshi Kawamata, Yuichi Negishi, Atsushi Nakajima, Koji Kaya

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Substituted Al clusters with B atom, which is trivalent but smaller than Al atom, or with covalent C atom were investigated using photoelectron spectroscopy (PES). In Aln-mBm- (n≥5 for m=1, n≥10 for m=2), three valence electrons of each B atom as well as Al atom contribute to electron shell structures, while the C atom strongly binds two free electrons from Aln- in AlnC- (n=5-30). The substitution with B atom allowed us to determine that s-p mixing starts at n=6 in pure Al clusters. Perturbed electron shells and the geometry of Al12B1-,Al11B2 -, and Al12C- are discussed.

Original languageEnglish
Pages (from-to)255-262
Number of pages8
JournalChemical Physics Letters
Issue number4-6
Publication statusPublished - 2001 Apr 6


ASJC Scopus subject areas

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

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