title: Saturn-like charge-transfer complexes Li₄&B₃₆, Li₅&B₃₆⁺, and Li₆&B₃₆²⁺: exohedral metalloborospherenes with a perfect cage-like B₃₆⁴⁻ core.
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).
authors.affiliation: Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China. luhg@sxu.edu.cn hj.zhai@sxu.edu.cn lisidian@sxu.edu.cn.
authors.forename: Wen-Juan
authors.initials: WJ
authors.lastname: Tian
authors.forename: Qiang
authors.initials: Q
authors.lastname: Chen
authors.forename: Hai-Ru
authors.initials: HR
authors.lastname: Li
authors.forename: Miao
authors.initials: M
authors.lastname: Yan
authors.forename: Yue-Wen
authors.initials: YW
authors.lastname: Mu
authors.forename: Hai-Gang
authors.initials: HG
authors.lastname: Lu
authors.forename: Hua-Jin
authors.initials: HJ
authors.lastname: Zhai
authors.forename: Si-Dian
authors.initials: SD
authors.lastname: Li