Application of Group Theory for Evaluating the Jahn-Teller Effect and Analyzing the Stability Structure of Boron (Bn = (3-7)∓,0) Clusters
Yazarlar (1)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Central Tehran Branch, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Russian Journal of Inorganic Chemistry | ||
| Dergi ISSN | 0036-0236 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2021 |
| Cilt / Sayı / Sayfa | 66 / 14 / 2091–2104 | DOI | 10.1134/S0036023621140035 |
| Özet |
| Abstract: The second order Jahn–Teller effects (SOJT) can be occurring during interactions among filled and empty MOs of the similar symmetries. By this work, for some of the (Formula presented.) clusters the diatropic current (aromatic) and for some others paratropic current (anti-aromatic) have been predicted some of theme presented planar or quasi-planar structures due to Jahn–Teller and pseudo Jahn-teller effects. Via this effort, it has been exhibited that the aromaticity or anti-aromaticity can be assigned based on the 4n + 2 (or 4n) electron counting rule for either π- or σ-electrons in the planar structures. In addition, planarity and non-planarity of those clusters in viewpoint of Jahn–Teller and pseudo Jahn–Teller effect have been discussed in terms of delocalization and aromaticity. Via application of group theory, it has been exhibited that Jahn-Teller distorted structures of (Formula presented.) clusters belonging to the C |
| Anahtar Kelimeler |
| aromaticity | Bn clusters | Jahn–Teller effect | pseudo‑Jahn–Teller effect |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 1 |
| Scopus | 1 |