Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 15, Pages 9922-9926Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp01279e
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Funding
- National Natural Science Foundation of China [21373130, 21573138, 21473106]
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Based on extensive first-principles theory calculations, we present the possibility of construction of the Saturn-like charge-transfer complexes Li-4&B-36 (2), Li-5&B-36(+) (3), and Li-6&B-36(2+) (4) all of which contain a perfect cage-like B-36(4-) (1) core composed of twelve interwoven boron double chains with a sigma + pi double delocalization bonding pattern, extending the B-n(q) borospherene family from n = 38-42 to n = 36 with the highest symmetry of T-h.
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