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Issue 15, 2016
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Saturn-like charge-transfer complexes Li4&B36, Li5&B36+, and Li6&B362+: exohedral metalloborospherenes with a perfect cage-like B364− core

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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.

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

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Publication details

The article was received on 25 Feb 2016, accepted on 18 Mar 2016 and first published on 21 Mar 2016


Article type: Communication
DOI: 10.1039/C6CP01279E
Citation: Phys. Chem. Chem. Phys., 2016,18, 9922-9926
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    Saturn-like charge-transfer complexes Li4&B36, Li5&B36+, and Li6&B362+: exohedral metalloborospherenes with a perfect cage-like B364− core

    W. Tian, Q. Chen, H. Li, M. Yan, Y. Mu, H. Lu, H. Zhai and S. Li, Phys. Chem. Chem. Phys., 2016, 18, 9922
    DOI: 10.1039/C6CP01279E

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