Saturn-like charge-transfer complexes Li4&B36, Li5&B36+, and Li6&B362+: exohedral metalloborospherenes with a perfect cage-like B364− core

Literature Information

Publication Date 2016-03-21
DOI 10.1039/C6CP01279E
Impact Factor 3.676
Authors

Wen-Juan Tian, Qiang Chen, Hai-Ru Li, Miao Yan, Yue-Wen Mu, Hai-Gang Lu, Hua-Jin Zhai, Si-Dian Li


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Abstract

Based on extensive first-principles theory calculations, we present the possibility of construction of the Saturn-like charge-transfer complexes Li4&B36 (2), Li5&B36+ (3), and Li6&B362+ (4) all of which contain a perfect cage-like B364− (1) core composed of twelve interwoven boron double chains with a σ + π double delocalization bonding pattern, extending the Bnq borospherene family from n = 38–42 to n = 36 with the highest symmetry of Th.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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