Relative Stability of Boron Planar Clusters in Diatomic Molecular Model
In the recently introduced phenomenological diatomic molecular model imagining the clusters as certain constructions of pair interatomic chemical bonds, there are estimated specific (per atom) binding energies of small all-boron planar clusters B<i><sub>n</sub></i>, <i>...
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| Format: | Article |
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MDPI AG
2022-02-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/5/1469 |
| _version_ | 1797474454966632448 |
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| author | Levan Chkhartishvili |
| author_facet | Levan Chkhartishvili |
| author_sort | Levan Chkhartishvili |
| collection | DOAJ |
| description | In the recently introduced phenomenological diatomic molecular model imagining the clusters as certain constructions of pair interatomic chemical bonds, there are estimated specific (per atom) binding energies of small all-boron planar clusters B<i><sub>n</sub></i>, <i>n</i> = 1–15, in neutral single-anionic and single-cationic charge states. The theoretically obtained hierarchy of their relative stability/formation probability correlates not only with results of previous calculations, but also with available experimental mass-spectra of boron planar clusters generated in process of evaporation/ablation of boron-rich materials. Some overestimation in binding energies that are characteristic of the diatomic approach could be related to differences in approximations made during previous calculations, as well as measurement errors of these energies. According to the diatomic molecular model, equilibrium binding energies per B atom and B–B bond lengths are expected within ranges 0.37–6.26 eV and 1.58–1.65 Å, respectively. |
| first_indexed | 2024-03-09T20:30:19Z |
| format | Article |
| id | doaj.art-a1883677a06d454ca3956a5cc4090e2d |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T20:30:19Z |
| publishDate | 2022-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-a1883677a06d454ca3956a5cc4090e2d2023-11-23T23:24:49ZengMDPI AGMolecules1420-30492022-02-01275146910.3390/molecules27051469Relative Stability of Boron Planar Clusters in Diatomic Molecular ModelLevan Chkhartishvili0Department of Engineering Physics, Georgian Technical University, 77 Merab Kostava Avenue, Tbilisi 0160, GeorgiaIn the recently introduced phenomenological diatomic molecular model imagining the clusters as certain constructions of pair interatomic chemical bonds, there are estimated specific (per atom) binding energies of small all-boron planar clusters B<i><sub>n</sub></i>, <i>n</i> = 1–15, in neutral single-anionic and single-cationic charge states. The theoretically obtained hierarchy of their relative stability/formation probability correlates not only with results of previous calculations, but also with available experimental mass-spectra of boron planar clusters generated in process of evaporation/ablation of boron-rich materials. Some overestimation in binding energies that are characteristic of the diatomic approach could be related to differences in approximations made during previous calculations, as well as measurement errors of these energies. According to the diatomic molecular model, equilibrium binding energies per B atom and B–B bond lengths are expected within ranges 0.37–6.26 eV and 1.58–1.65 Å, respectively.https://www.mdpi.com/1420-3049/27/5/1469planar clustercharge statebond lengthspecific binding energyrelative stabilityformation probability |
| spellingShingle | Levan Chkhartishvili Relative Stability of Boron Planar Clusters in Diatomic Molecular Model Molecules planar cluster charge state bond length specific binding energy relative stability formation probability |
| title | Relative Stability of Boron Planar Clusters in Diatomic Molecular Model |
| title_full | Relative Stability of Boron Planar Clusters in Diatomic Molecular Model |
| title_fullStr | Relative Stability of Boron Planar Clusters in Diatomic Molecular Model |
| title_full_unstemmed | Relative Stability of Boron Planar Clusters in Diatomic Molecular Model |
| title_short | Relative Stability of Boron Planar Clusters in Diatomic Molecular Model |
| title_sort | relative stability of boron planar clusters in diatomic molecular model |
| topic | planar cluster charge state bond length specific binding energy relative stability formation probability |
| url | https://www.mdpi.com/1420-3049/27/5/1469 |
| work_keys_str_mv | AT levanchkhartishvili relativestabilityofboronplanarclustersindiatomicmolecularmodel |