Theoretical Study of Synthesis of 1,3-dibromonaphthanlene
Yükleniyor...
Tarih
2018
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Chem Soc Pakistan
Erişim Hakkı
info:eu-repo/semantics/closedAccess
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 1,3-dibromonaphthalene (2) was higher than that of the 1,4-dibomonaphthalene (3), the formation of 1,3-dibromonaphthalene (2) was favorable. Moreover, Higher dipole moment of 1,3-dibromonaphthalene (2) than 1,4-dibomonaphthalene (3) supported the synthesis of 1,3-dibromonaphthalene (2) properly.
Açıklama
Erenler, Ramazan/0000-0002-0505-3190
Anahtar Kelimeler
Bromination, Naphthalene, Theoretical calculation
Kaynak
Journal Of The Chemical Society Of Pakistan
WoS Q Değeri
Q4
Scopus Q Değeri
Q3
Cilt
40
Sayı
6
Künye
closedAccess
