All-boron analogues of aromatic hydrocarbons: B17− and B18−

• DOI: 10.1063/1.3599452
• Publication Date: 2011-06-10T22:56:42Z
• Authors: Alina P. Sergeeva; Boris B. Averkiev; Hua-Jin Zhai; Alexander I. Bold...; Lai-Sheng Wang
• Keywords: Planarity testing; Coronene

We have investigated the structural and electronic properties of B17− B18− clusters using photoelectron spectroscopy (PES) ab initio calculations. The adiabatic electron detachment energies are measured to be 4.23 ± 0.02 3.53 0.05 eV, respectively. Calculated compared with experimental data, confirming presence one planar C2v (1A1) isomer for two nearly isoenergetic quasi-planar C3v (2A1) Cs (2A′) isomers B18−. stability planarity/quasi-planarity ascribed σ- π-aromaticity. Chemical bonding analyses reveal that nature π-bonding in is similar recently elucidated B162− B19− clusters, cluster can considered as an all-boron analogue naphthalene, whereas reminiscent coronene.