Theoretical studies on the structures, properties, and aromaticities of fluorinated arsabenzenes
Yazarlar (4)
R. Ghiasi Islamic Azad University, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
E. E. Mokarram Islamic Azad University, Shahr-E-Rey Branch, İran
P. Makkipour Islamic Azad University, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Structural Chemistry | ||
| Dergi ISSN | 0022-4766 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 07-2008 |
| Cilt / Sayı / Sayfa | 49 / 4 / 600–605 | DOI | 10.1007/s10947-008-0083-7 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-51849136124&partnerID=MN8TOARS | ||
| Özet |
| The electronic structures and properties of the fluorinated arsabenzenes series have been investigated using the basis set 6-311+G(d,p) and hybrid density functional theory. The basic measures of aromatic character derived from molecular orbitals and magnetic criteria (anisotropic susceptibilities and nucleus-independent chemical shifts) are considered. The energy criteria suggest that the F3, F36, H36, and H3 isomers are the most stable isomers in the mono-, di-, tri-, and tetrafluorinated species, respectively. Analysis of χ |
| Anahtar Kelimeler |
| Aromaticity | Arsabenzene | B3LYP | CSGT | Fluorinated aromatics | GIAO | NICS |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 10 |
| Scopus | 29 |