当前位置: X-MOL 学术J. Phys. Chem. A › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Substitution of O with a Single Au Atom as an Electron Acceptor in Al Oxide Clusters.
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2020-08-23 , DOI: 10.1021/acs.jpca.0c06269
Fumitaka Mafuné 1 , Xinan Liu 1 , Yufei Zhang 1 , Satoshi Kudoh 1
Affiliation  

Al atoms generally adopt the +3 oxidation state and form stoichiometric oxides such as Al2O3 in the bulk phase. Among small cationic gas-phase clusters, near-stoichiometric clusters such as Al3O4+, Al3O5+, Al4O6+, Al4O7+, Al5O7+, and Al5O8+ have been readily generated in experimental studies. However, when a single Au atom was included in the clusters, oxygen-deficient clusters such as AuAl4O5+ were formed in high abundance; in these clusters, the Au atom accepted electron density from the Al atoms. The geometrical structures and atomic charges in the clusters suggest that a single Au atom can substitute for O atoms in Al oxide clusters. This propensity originates from the high electron and low oxygen affinities, which, together, constitute an unusual property of Au.

中文翻译:

在铝氧化物簇中用单个金原子取代O作为电子受体。

Al原子通常采用+3氧化态并在本体相中形成化学计量的氧化物,例如Al 2 O 3。在小的阳离子气相簇中,接近化学计量的簇,例如Al 3 O 4 +,Al 3 O 5 +,Al 4 O 6 +,Al 4 O 7 +,Al 5 O 7 +和Al 5 O 8 +在实验研究中很容易产生。但是,当单个金原子包含在簇中时,缺氧簇例如AuAl高丰度地形成4 O 5 +;在这些簇中,Au原子接受了Al原子的电子密度。团簇中的几何结构和原子电荷表明,单个Au原子可以代替Al氧化物团簇中的O原子。这种倾向源于高电子亲和力和低氧亲和力,它们共同构成了Au的不同寻常的特性。
更新日期:2020-09-18
down
wechat
bug