Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study

Three photobicyclized benzodithienoquinolizinium tetrafluoroborates (BPDTQBF4) were prepared and evaluated by UV–Vis and fluorescence spectral, electrochemical analysis, and by theoretical calculations as possible organic n-type semiconductors. Evaluation and comparison of their LUMO levels, HOMO-LU...

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Autores principales:	Andrés Aracena, Marcos Caroli Rezende, Macarena García, Karina Muñoz-Becerra, Kerry Wrighton-Araneda, Cristian Valdebenito, Freddy Celis, Octavio Vásquez
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	benzodithienoquinolizinium cations photocyclization of N-aryl pyridinium salts π-stacked assemblies organic semiconductors Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
Acceso en línea:	https://doaj.org/article/34b689426eb84569b9ce656c385a48c9
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spelling	oai:doaj.org-article:34b689426eb84569b9ce656c385a48c92021-11-11T17:49:42ZAlkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study10.3390/ma142162391996-1944https://doaj.org/article/34b689426eb84569b9ce656c385a48c92021-10-01T00:00:00Zhttps://www.mdpi.com/1996-1944/14/21/6239https://doaj.org/toc/1996-1944Three photobicyclized benzodithienoquinolizinium tetrafluoroborates (BPDTQBF4) were prepared and evaluated by UV–Vis and fluorescence spectral, electrochemical analysis, and by theoretical calculations as possible organic n-type semiconductors. Evaluation and comparison of their LUMO levels, HOMO-LUMO energy gaps as monomeric and π-stacked dimers with those of other materials, suggest their potential as organic n-type semiconductors. Calculations of their relative charge carrier mobilities confirmed this potential for one derivative with a long (C-14) alkyl chain appended to the polycyclic planar π-system.Andrés AracenaMarcos Caroli RezendeMacarena GarcíaKarina Muñoz-BecerraKerry Wrighton-AranedaCristian ValdebenitoFreddy CelisOctavio VásquezMDPI AGarticlebenzodithienoquinolizinium cationsphotocyclization of N-aryl pyridinium saltsπ-stacked assembliesorganic semiconductorsTechnologyTElectrical engineering. Electronics. Nuclear engineeringTK1-9971Engineering (General). Civil engineering (General)TA1-2040MicroscopyQH201-278.5Descriptive and experimental mechanicsQC120-168.85ENMaterials, Vol 14, Iss 6239, p 6239 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	benzodithienoquinolizinium cations photocyclization of N-aryl pyridinium salts π-stacked assemblies organic semiconductors Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
spellingShingle	benzodithienoquinolizinium cations photocyclization of N-aryl pyridinium salts π-stacked assemblies organic semiconductors Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85 Andrés Aracena Marcos Caroli Rezende Macarena García Karina Muñoz-Becerra Kerry Wrighton-Araneda Cristian Valdebenito Freddy Celis Octavio Vásquez Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study
description	Three photobicyclized benzodithienoquinolizinium tetrafluoroborates (BPDTQBF4) were prepared and evaluated by UV–Vis and fluorescence spectral, electrochemical analysis, and by theoretical calculations as possible organic n-type semiconductors. Evaluation and comparison of their LUMO levels, HOMO-LUMO energy gaps as monomeric and π-stacked dimers with those of other materials, suggest their potential as organic n-type semiconductors. Calculations of their relative charge carrier mobilities confirmed this potential for one derivative with a long (C-14) alkyl chain appended to the polycyclic planar π-system.
format	article
author	Andrés Aracena Marcos Caroli Rezende Macarena García Karina Muñoz-Becerra Kerry Wrighton-Araneda Cristian Valdebenito Freddy Celis Octavio Vásquez
author_facet	Andrés Aracena Marcos Caroli Rezende Macarena García Karina Muñoz-Becerra Kerry Wrighton-Araneda Cristian Valdebenito Freddy Celis Octavio Vásquez
author_sort	Andrés Aracena
title	Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study
title_short	Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study
title_full	Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study
title_fullStr	Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study
title_full_unstemmed	Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study
title_sort	alkylated benzodithienoquinolizinium salts as possible non-fullerene organic n-type semiconductors: an experimental and theoretical study
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/34b689426eb84569b9ce656c385a48c9
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Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study

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