期刊
STRUCTURAL CHEMISTRY
卷 29, 期 1, 页码 327-340出版社
SPRINGER/PLENUM PUBLISHERS
DOI: 10.1007/s11224-017-1031-y
关键词
Boron clusters; Fullerenes; Combined doping; Exohedral surrounding; Endohedral complexes; Lithium environment; Quantum chemical calculations
资金
- Russian Science Foundation [16-13-10050]
- Russian Science Foundation [16-13-10050] Funding Source: Russian Science Foundation
A combined approach (endohedral doping and exohedral environment) to stabilization of boron clusters with classical fullerene structures has been studied. The boron clusters with classical fullerene structures are stable when heteroatomic part of the complex (endohedral atom and exohedral environment) donates in total 18 electrons to the composite system, stability of which depends on the coordination capabilities and donor ability of the endohedral and surrounding atoms. The most effective stabilization is achieved in the case of the endohedral transition metals atoms, whereas the most effective environment is given by the lithium surrounding.
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