title: Aromatic cages B: unprecedented existence of octagonal holes in boron clusters.
abstract: The cage-like structures containing octagonal holes are located as the lowest-lying isomers for the B. The presence of octagonal holes, which have been found for the first time, not only gives us new insight into the bonding motif, but also marks a breakthrough in the structural characteristics of boron clusters since they were never expected to be stable units for elemental clusters. These cages are composed of both delocalized σ and π electron systems that consequently make them aromatic and thermodynamically stable.
authors.affiliation: Computational Chemistry Research Group & Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam. E-mail: truongbatai@tdt.edu.vn|Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. E-mail: truong.batai@chem.kuleuven.be
authors.forename: Truong Ba
authors.initials: TB
authors.lastname: Tai
authors.affiliation: Department of Applied Chemistry, and Department of Bionano Technology, Hanyang University, Ansan, Gyeonggi-do, Republic of Korea
authors.forename: Sang Uck
authors.initials: SU
authors.lastname: Lee
authors.affiliation: Computational Chemistry Research Group & Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam. E-mail: truongbatai@tdt.edu.vn|Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. E-mail: truong.batai@chem.kuleuven.be
authors.forename: Minh Tho
authors.initials: MT
authors.lastname: Nguyen