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On the variation of the belt and chiral screw and spring conformations of substituted regioregular HT undecathiophenes

The stability of a belt- and two chiral screw- and spring-conformers of HT regioregular substituted undecathiophenes was calculated. For many substituents these conformers can possibly coexist. The averaged SCCS torsion angle and HOMA index characterized well the geometry and π-electron delocalizati...

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Detalles Bibliográficos
Autores principales: Dobrowolski, Jan Cz., Jamróz, Małgorzata E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9077278/
https://www.ncbi.nlm.nih.gov/pubmed/35542613
http://dx.doi.org/10.1039/c7ra12777d