Theoretical study of borthiin and its derivatives: Structure and aromaticity
Yazarlar (1)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, İran
| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Sulfur Chemistry | ||
| Dergi ISSN | 1741-5993 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 01-2007 |
| Cilt / Sayı / Sayfa | 28 / 5 / 505–511 | DOI | 10.1080/17415990701516440 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-34548818518&partnerID=MN8TOARS | ||
| Özet |
| The electronic structure and properties of borthiin and 6 tri-substituted derivatives have been investigated using ab initio calculations. Basic measures of aromatic character derived from structure, and a variety of magnetic criteria (magnetic isotropic and anisotropic susceptibilities, magnetic susceptibilities exaltations, NICS are considered. Energetic criteria suggest that B3S3Me3 is the most aromatic of the species. However, by magnetic anisotropic susceptibilities, NICSzz(2) B3S3(CHO)3 is the most aromatic of the family. NICSzz(2) is found to be a reliable measure of the aromaticity for all species. © 2007 Taylor & Francis. |
| Anahtar Kelimeler |
| Aromaticity | Borthiin | Magnetic Properties | Substituent Effect |
Science Direct
Theoretical study of borthiin and its derivatives: Structure and aromaticity
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 40 |