A Theoretical investigation of furan-AlX3, pyrrole-AlX3 and thiophene-AlX3 (X = H, F, Cl, Br) interactions

A Theoretical investigation of furan-AlX3, pyrrole-AlX3 and thiophene-AlX3 (X = H, F, Cl, Br) interactions

<em>X<sub>3</sub>Al-YC<sub>4</sub>H<sub>4</sub> (X = H, F, Cl and Br; Y = O in furan, Y=NH in pyrrole, and Y = S in thiophen) have been investigated as donor−acceptor complex types using the DFT level of theory. Both staggered and eclipsed conformations have...

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Bibliographic Details
Main Authors: Mustapha Cherkaoui, Abderrahim Boutalib
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2013-01-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
donor-acceptor
aluminum
furan
pyrrole
thiophen
density functional theory
Online Access:http://orbital.ufms.br/index.php/Chemistry/article/view/288

Internet

http://orbital.ufms.br/index.php/Chemistry/article/view/288

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