Theoretical Study of Synthesis of 1,3-dibromonaphthanlene
Yazarlar (2)
Faik Gökalp Kırıkkale Üniversitesi, Türkiye
Prof. Dr. Ramazan ERENLER Tokat Gaziosmanpaşa Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of the Chemical Society of Pakistan (Q4) | ||
| Dergi ISSN | 0253-5106 Dergi Bilgileri (2018) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2018 |
| Cilt / Sayı / Sayfa | 40 / 6 / 1089–1092 | DOI | – |
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| Naphthalene derivatives have been attracted the interest for synthesis of natural products having biological properties. Elimination reaction of tetrabromonaphthalene (1) resulted in the formation of 1, 3-dibromonaphthalene (2) rather than 1, 4-dibomonaphthalene (3). This phenomenon was explained by theoretical investigation. The physical properties and optimization of tetrabromonaphthalene (1), 1, 3-dibromonaphthalene (2) and 1, 4-dibromonaphthalene (3) were evaluated by B3lyp/6-31+ G (d, p) method. Due to the HOMO-LUMO gap of 1, 3dibromonaphthalene (2) was higher than that of the 1, 4-dibomonaphthalene (3), the formation of 1, 3dibromonaphthalene (2) was favorable. Moreover, Higher dipole moment of 1, 3dibromonaphthalene (2) than 1, 4-dibomonaphthalene (3) supported the synthesis of 1, 3dibromonaphthalene (2) properly. |
| Anahtar Kelimeler |
| Bromination | Naphthalene | Theoretical calculation |
