[Sb4Au4Sb4]2−: A designer all-metal aromatic sandwich

• Published in: The Journal of chemical physics Vol. 145; no. 4
• Main Authors: Tian, Wen-Juan, Guo, Jin-Chang, Li, Da-Zhi, You, Xue-Rui, Wang, Ying-Jin, Sun, Zhong-Ming, Zhai, Hua-Jin
• Format: Journal Article
• Language: English; Japanese
• Published: Melville American Institute of Physics 28.07.2016
• Subjects: Chemical bonds; Coalescing; Coordination compounds; Design; Electrons; Energy gap; Interlayers; Molecular orbitals; Organic chemistry; Qualitative analysis

We report on the computational design of an all-metal aromatic sandwich, [Sb4Au4Sb4]2−. The triple-layered, square-prismatic sandwich complex is the global minimum of the system from Coalescence Kick and Minima Hopping structural searches. Following a standard, qualitative chemical bonding analysis...