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

doi:10.1016/S0009-2614(01)00198-1

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

Hiroshi Kawamata, Yuichi Negishi, Atsushi Nakajima, Koji Kaya

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

49 Citations (Scopus)

Abstract

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 Al_n-mB_m^- (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 Al_n^- in Al_nC^- (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 language	English
Pages (from-to)	255-262
Number of pages	8
Journal	Chemical Physics Letters
Volume	337
Issue number	4-6
DOIs	https://doi.org/10.1016/S0009-2614(01)00198-1
Publication status	Published - 2001 Apr 6

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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Electronic properties of substituted aluminum clusters by boron and carbon atoms (Al_nB_m^-/Al_nC_m ^-); New insights into s-p hybridization and perturbed shell structures. / Kawamata, Hiroshi; Negishi, Yuichi; Nakajima, Atsushi; Kaya, Koji.

In: Chemical Physics Letters, Vol. 337, No. 4-6, 06.04.2001, p. 255-262.

Research output: Contribution to journal › Article › peer-review

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abstract = "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.",

author = "Hiroshi Kawamata and Yuichi Negishi and Atsushi Nakajima and Koji Kaya",

note = "Funding Information: This work is supported by a program entitled `Research for the Future (RFTF)' of Japan Society for the Promotion of Science (98P01203). ",

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AU - Kawamata, Hiroshi

AU - Negishi, Yuichi

AU - Nakajima, Atsushi

AU - Kaya, Koji

N1 - Funding Information: This work is supported by a program entitled `Research for the Future (RFTF)' of Japan Society for the Promotion of Science (98P01203).

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