An Aromaticity Study of Localized and Non-Localized Orbitals in B3n∓,0, B4n∓,0, B5n∓,0, B6n∓,0 and B7n∓,0 (n=0, 1, 2) Rings
Yazarlar (4)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Central Tehran Branch, İran
Yaser Rafiee
Islamic Azad University, Central Tehran Branch, İran
Islamic Azad University, Central Tehran Branch, İran
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
Sara Shahriari
Islamic Azad University, Central Tehran Branch, İran
Islamic Azad University, Central Tehran Branch, İran
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Russian Journal of Physical Chemistry A (Q4) | ||
| Dergi ISSN | 0036-0244 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2023 |
| Cilt / Sayı / Sayfa | 97 / 1 / 151–167 | DOI | 10.1134/S0036024423010223 |
| Makale Linki | https://link.springer.com/article/10.1134/S0036024423010223 | ||
| Özet |
| Several ions of \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$B_{n}^{{ \mp ,0}}$$\end{document} 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 … |
| Anahtar Kelimeler |
| aromaticity | Bn clusters | Jahn–Teller effect | pseudo‑Jahn–Teller effect |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları |