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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)
Majid Monajjemi
Yaser Rafiee
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye
Sara Shahriari
Devamını Göster
Özet
Abstract: Several ions of (Formula presented.) 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.
Anahtar Kelimeler
B-n clusters | Jahn-Teller effect | pseudo-Jahn-Teller effect | aromaticity
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
Dergi ISSN 0036-0244 Wos Dergi Scopus Dergi
Dergi Grubu Q4
Makale Dili İngilizce
Basım Tarihi 01-2023
Cilt No 97
Sayı 1
Sayfalar 151 / 167
Doi Numarası 10.1134/S0036024423010223