TY - JOUR
T1 - Electronic properties of substituted aluminum clusters by boron and carbon atoms (AlnBm-/AlnCm -); New insights into s-p hybridization and perturbed shell structures
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).
PY - 2001/4/6
Y1 - 2001/4/6
N2 - 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.
AB - 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.
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U2 - 10.1016/S0009-2614(01)00198-1
DO - 10.1016/S0009-2614(01)00198-1
M3 - Article
AN - SCOPUS:0000005532
VL - 337
SP - 255
EP - 262
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-6
ER -