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An Aromaticity Study of Localized and Non-Localized Orbitals in \(B_{3}^{{n \mp ,0}}\), \(B_{4}^{{n \mp ,0}}\), \(B_{5}^{{n \mp ,0}}\), \(B_{6}^{{n \mp ,0}}\), and \(B_{7}^{{n \mp ,0}}\) (n = 0, 1, 2) Rings

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Abstract

Several ions of \(B_{n}^{{ \mp ,0}}\) rings in viewpoint of diatropic situation (aromatic) and also paratropic position (anti-aromatic) have been studied. By this work, it has been exhibited that some of these ion rings presented planar and some others exhibit a quasi-planar structures, due to Jahn–Teller and pseudo Jahn–Teller effects. Via this effort, we demonstrated that the global aromaticity or global anti-aromaticity can be assigned on the 4n + 2 (or 4n) electron counting rule for either π- or σ-electrons in the planar structures. In addition, the structures of these ions have been discussed computationally and confirmed via comparisons of experimental photoelectron spectrophotometry.

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ACKNOWLEDGMENTS

Our common idea and preliminary discussion of this work refer to the duration of my sabbatical collaborating with professor J.E. Boggs (who passed away) in Institute for Theoretical Chemistry, Department of Chemistry, The University of Texas at Austin, Austin, Texas, United States that reminds me his memory.

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Authors and Affiliations

  1. Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University, Tehran, Iran

    Majid Monajjemi

  2. Department of Medical Radiation, Central Tehran Branch, Islamic Azad University, Tehran, Iran

    Yaser Rafiee

  3. Department of Biomedical Engineering, Faculty of Engineering and Architecture, Kastamonu University, Kastamonu, Turkey

    Fatemeh Mollaamin

  4. Department of Chemistry, Central Tehran Branch, Islamic Azad University, Tehran, Iran

    Sara Shahriari

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  1. Majid Monajjemi
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  2. Yaser Rafiee
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Correspondence to Majid Monajjemi.

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Monajjemi, M., Rafiee, Y., Mollaamin, F. et al. An Aromaticity Study of Localized and Non-Localized Orbitals in \(B_{3}^{{n \mp ,0}}\), \(B_{4}^{{n \mp ,0}}\), \(B_{5}^{{n \mp ,0}}\), \(B_{6}^{{n \mp ,0}}\), and \(B_{7}^{{n \mp ,0}}\) (n = 0, 1, 2) Rings. Russ. J. Phys. Chem. 97, 151–167 (2023). https://doi.org/10.1134/S0036024423010223

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