Electron acceptors as a powerful tool for the modulation of polythiophene electron structure

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26310%2F24%3APU152268" target="_blank" >RIV/00216305:26310/24:PU152268 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989592:15640/24:73626078

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0032386124009728?utm_campaign=STMJ_219742_AUTH_SERV_PA&utm_medium=email&utm_acid=136284985&SIS_ID=&dgcid=STMJ_219742_AUTH_SERV_PA&CMX_ID=&utm_in=DM509933&utm_source=AC_" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0032386124009728?utm_campaign=STMJ_219742_AUTH_SERV_PA&utm_medium=email&utm_acid=136284985&SIS_ID=&dgcid=STMJ_219742_AUTH_SERV_PA&CMX_ID=&utm_in=DM509933&utm_source=AC_</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.polymer.2024.127636" target="_blank" >10.1016/j.polymer.2024.127636</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Electron acceptors as a powerful tool for the modulation of polythiophene electron structure

Popis výsledku v původním jazyce

This work presents the synthesis of novel nitrated thiophene trimer and polymer. The prepared materials exhibit good thermal and chemical stability. In comparison with unsubstituted terthiophene, the substitution of an alkyl chain and chromophoric nitro groups caused the appearance of multiple absorption bands, likely due to the presence of different conformations. The experimental HOMO and LUMO levels were −6.14 eV (−3.23 eV) and −5.99 eV (−3.55 eV) for the trimer and polymer, respectively. The experimental properties were interpreted using the theoretical predictions performed for model 17 unsubstituted and 14 substituted model thiophene-aromatic ring-thiophene trimers, as well as oligothiophenes. Comparing with the expensive fluorinated derivatives, the nitrated oligothiophenes can represent a synthetically cheaper alternative material with specific electronic structure useable in construction of n-type organic semiconductors.

Název v anglickém jazyce

Electron acceptors as a powerful tool for the modulation of polythiophene electron structure

Popis výsledku anglicky

This work presents the synthesis of novel nitrated thiophene trimer and polymer. The prepared materials exhibit good thermal and chemical stability. In comparison with unsubstituted terthiophene, the substitution of an alkyl chain and chromophoric nitro groups caused the appearance of multiple absorption bands, likely due to the presence of different conformations. The experimental HOMO and LUMO levels were −6.14 eV (−3.23 eV) and −5.99 eV (−3.55 eV) for the trimer and polymer, respectively. The experimental properties were interpreted using the theoretical predictions performed for model 17 unsubstituted and 14 substituted model thiophene-aromatic ring-thiophene trimers, as well as oligothiophenes. Comparing with the expensive fluorinated derivatives, the nitrated oligothiophenes can represent a synthetically cheaper alternative material with specific electronic structure useable in construction of n-type organic semiconductors.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10401 - Organic chemistry

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Polymer

ISSN

0032-3861

e-ISSN

1873-2291

Svazek periodika

312

Číslo periodika v rámci svazku

October 2024

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

11

Strana od-do

„“-„“

Kód UT WoS článku

001324614900001

EID výsledku v databázi Scopus

2-s2.0-85204420052