Tai Truong Ba, Lee Sang Uck, Nguyen Minh Tho
Computational Chemistry Research Group & Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam. E-mail:
Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. E-mail:
Phys Chem Chem Phys. 2016 Apr 28;18(17):11620-3. doi: 10.1039/c5cp07342a.
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.
包含八角形孔洞的笼状结构是硼的最低能量异构体。首次发现的八角形孔洞的存在，不仅让我们对键合模式有了新的认识，也标志着硼簇结构特征方面的一个突破，因为此前从未预期它们会是元素簇的稳定单元。这些笼子由离域的σ和π电子系统组成，因此具有芳香性且在热力学上稳定。
