| Literature DB >> 27029411 |
Wen-Juan Tian1, Qiang Chen, Hai-Ru Li, Miao Yan, Yue-Wen Mu, Hai-Gang Lu, Hua-Jin Zhai, Si-Dian Li.
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&B36(2+) (4) all of which contain a perfect cage-like B36(4-) (1) core composed of twelve interwoven boron double chains with a σ + π double delocalization bonding pattern, extending the Bn(q) borospherene family from n = 38-42 to n = 36 with the highest symmetry of T(h).Entities:
Year: 2016 PMID: 27029411 DOI: 10.1039/c6cp01279e
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN: 1463-9076 Impact factor: 3.676