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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Autores principales: Dobrowolski, Jan Cz., Jamróz, Małgorzata E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Chemistry
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
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author Dobrowolski, Jan Cz.
Jamróz, Małgorzata E.
author_facet Dobrowolski, Jan Cz.
Jamróz, Małgorzata E.
author_sort Dobrowolski, Jan Cz.
collection PubMed
description 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 delocalization. The substituent volume appeared to shape the conformer form and stability.
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spelling pubmed-90772782022-05-09 On the variation of the belt and chiral screw and spring conformations of substituted regioregular HT undecathiophenes Dobrowolski, Jan Cz. Jamróz, Małgorzata E. RSC Adv Chemistry 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 delocalization. The substituent volume appeared to shape the conformer form and stability. The Royal Society of Chemistry 2018-01-09 /pmc/articles/PMC9077278/ /pubmed/35542613 http://dx.doi.org/10.1039/c7ra12777d Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Dobrowolski, Jan Cz.
Jamróz, Małgorzata E.
On the variation of the belt and chiral screw and spring conformations of substituted regioregular HT undecathiophenes
title On the variation of the belt and chiral screw and spring conformations of substituted regioregular HT undecathiophenes
title_full On the variation of the belt and chiral screw and spring conformations of substituted regioregular HT undecathiophenes
title_fullStr On the variation of the belt and chiral screw and spring conformations of substituted regioregular HT undecathiophenes
title_full_unstemmed On the variation of the belt and chiral screw and spring conformations of substituted regioregular HT undecathiophenes
title_short On the variation of the belt and chiral screw and spring conformations of substituted regioregular HT undecathiophenes
title_sort on the variation of the belt and chiral screw and spring conformations of substituted regioregular ht undecathiophenes
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9077278/
https://www.ncbi.nlm.nih.gov/pubmed/35542613
http://dx.doi.org/10.1039/c7ra12777d
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