A revisit to electronic structures of cobalt -doped silver cluster anions by size-dependent reactivity measurement

被引：6
|
作者：
Minamikawa, Kento [1 ]
Arakawa, Masashi [1 ]
Tono, Kensuke [2 ]
Terasaki, Akira [1 ]
机构：
[1] Kyushu Univ, Fac Sci, Dept Chem, Nishi Ku, 744 Motooka, Fukuoka 8190395, Japan
[2] Japan Synchrotron Radiat Res Inst JASRI, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan
来源：
CHEMICAL PHYSICS LETTERS | 2020年 / 753卷 / 753期
关键词：
CATIONS; TRANSITION; VALENCE; STATES; CO;
D O I：
10.1016/j.cplett.2020.137613
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Reactivity of AgNCo− (N = 4–14) is examined against oxygen to characterize their electronic structures. Localized Co 3d is suggested for N ≤ 11 due to their high reactivity. This result, in particular for Ag8Co−, is in contrast to our previous study based on photoelectron spectroscopy (Tono et al., 2007); Ag8Co− was reported to form an 18-electron closed shell via s–d interaction with delocalized 3d, which suggests low reactivity. The present updated DFT analysis provides revised understandings of AgNCo− clusters, explaining both reactivity and photoelectron spectra consistently. © 2020 Elsevier B.V.
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页数：5
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