Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/56537
Type: Artigo de periódico
Title: CONFORMATIONAL STUDY ON ALKYL-SUBSTITUTED THIOPHENE OLIGOMERS
Author: DOSSANTOS, DA
GALVAO, DS
LAKS, B
DOSSANTOS, MC
Abstract: A series of Austin-method 1 geometry optimization on alkyl-substituted thiophene small oligomers has been carried out. Torsion potential curves for dimers are obtained as a function of the length of the alkyl side group and the substitution position. Ground-state geometries are predicted to be quite independent of the radical length. On the other hand, different side-chain couplings give rise to distinct torsion potential curves. A planar group-state geometry is obtained for 4,4'-dialkyl-bithiophene while in 3,3' and 3,4' coupled isomers, thiophenes are twisted by 90-degrees but have distinct torsion barriers. The importance of the present results to the structural features of alkyl-substituted polythiophenes is discussed.
Country: Holanda
Editor: Elsevier Science Bv
Rights: fechado
Identifier DOI: 10.1016/0009-2614(91)80037-X
Date Issue: 1991
Appears in Collections:Unicamp - Artigos e Outros Documentos

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