Zhao Dongbo, He Xin, Li Meng, Wang Bin, Guo Chunna, Rong Chunying, Chattaraj Pratim K, Liu Shubin
Institute of Biomedical Research, Yunnan University, Chenggong District, Kunming 650500, Yunnan, P. R. China.
Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), Hunan Normal University, Changsha, Hunan 410081, P. R. China.
Phys Chem Chem Phys. 2021 Nov 3;23(42):24118-24124. doi: 10.1039/d1cp02516c.
Atomic clusters are unique in many perspectives because of their size and structure features and are continuously being applied for different purposes. To unveil their unconventional properties, in this work, using neutral tetraboron clusters as illustrative examples, we study their exotic behaviors in bonding, aromaticity, and reactivity. We show that both double and triple bonds can be formed, ring current patterns can be totally different, and both electrophilic and nucleophilic reactivities can coexist simultaneously. These features are often in contrast with our conventional chemical wisdom and could enrich the possibility for their potential applications. The methodologies employed in this work can be readily applied to other systems. Our studies should help us better appreciate atomic clusters with many atypical properties and henceforth yield novel applications.
原子团簇由于其尺寸和结构特征在许多方面都独一无二，并且不断被应用于不同的目的。为了揭示它们的非常规性质，在这项工作中，我们以中性四硼团簇为例，研究它们在键合、芳香性和反应性方面的奇异行为。我们表明，双键和三键都可以形成，环电流模式可能完全不同，亲电和亲核反应性可以同时共存。这些特征常常与我们传统的化学认知相反，并且可以丰富它们潜在应用的可能性。这项工作中使用的方法可以很容易地应用于其他体系。我们的研究应该有助于我们更好地认识具有许多非典型性质的原子团簇，并进而产生新的应用。
