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Theoretical Study of Synthesis of 1,3-dibromonaphthanlene.
Author(s):
1. Faik Gkalp: Department of Chemistry, Faculty of Art and Science, Gaziosmanpasa University, 60240 Tokat, Turkey
2. Ramazan Erenler: Department of Chemistry, Faculty of Art and Science, Gaziosmanpasa University, 60240 Tokat, Turkey
Abstract:
Summary: 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.
Page(s): 1089-1092
DOI: DOI not available
Published: Journal: Journal of Chemical Society of Pakistan, Volume: 40, Issue: 6, Year: 2018
Keywords:
Keywords are not available for this article.
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