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

Sergeeva, Alina P., Averkiev, Boris B., Zhai, Hua-Jin, Boldyrev, Alexander I., Wang, Lai-Sheng·2011·The Journal of Chemical Physics

Abstract

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

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Metadata

Authors
Sergeeva, A. P., Averkiev, B. B., Zhai, H.-J., Boldyrev, A. I., & Wang, L.-S.
Venue
The Journal of Chemical Physics
Published
2011-06-10
Volume
134
Issue
22
Pages
224304-224304
ISSN
  • 0021-9606 (ISSN-L)
  • 1089-7690
OpenAlex
W1964563952
Cited by
332
References
71
FWCI
19.99
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: All-boron analogues of aromatic hydrocarbons: B17− and B18−. https://app.cochat.ai/papers/10.1063/1.3599452
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Sergeeva, A. P., Averkiev, B. B., Zhai, H.-J., Boldyrev, A. I., & Wang, L.-S. (2011). All-boron analogues of aromatic hydrocarbons: B17− and B18−. The Journal of Chemical Physics. https://doi.org/10.1063/1.3599452

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