Electron-vibrational coupling on the absorption spectrum of dithienyl-diketopyrrolopyrrole dye

Araujo, Luis Octavio de; Neto, Alfredo Leithold; Scalon, Lucas; Rodrigues, Paula C.; Floriano, João Batista; Barreto, Rafael Carvalho

doi:10.1016/j.dyepig.2021.109140

Cited by 2 publications

(2 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To minimize the ending effects of the finite chain, symmetric chains were considered when building the oligomeric models 32 . For simplicity, the experimental ester chains attached in fluorene moieties were replaced with methyl groups since longer alkyl chains are not expected to significantly affect the electronic properties of the single oligomeric chains 27,33 …”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Influence of the π‐bridge and heteroatom on fluorene‐based donor‐acceptor polymers: Structure and optoelectronic properties

Pereira,

Araujo,

Daros

et al. 2023

J of Applied Polymer Sci

Self Cite

View full text Add to dashboard Cite

Conjugated copolymers possess intriguing electronic characteristics that can be precisely modulated by manipulating their chemical structures. In this study, we explored two approaches for fine‐tuning the energy levels of these copolymers: the incorporation of heterocyclic moieties between the donor and acceptor units, and the substitution of a chalcogen atom in the acceptor unit. Specifically, we investigated the insertion of a thiophene along the polymer backbone and the replacement of sulfur with selenium in the acceptor unit. A series of copolymers were synthesized and thoroughly characterized using both experimental and theoretical methods. Partial density distribution of states analysis revealed that the inclusion of a thiophene significantly altered the HOMO level. Furthermore, the resulting Eg exhibited a decrease of approximately 0.8–0.9 eV compared to the copolymer without thiophene, indicating an enhanced planarization of the chain and increased conjugation length. Experimental data obtained from cyclic voltammetry demonstrated that both the conjugation length and the chalcogen atom in the acceptor unit played crucial roles in controlling the energy levels of the HOMO and LUMO. These findings establish a clear correlation between the chemical structure and the properties of the copolymers, demonstrating the potential for precise control and tailoring of their electronic characteristics.

show abstract

Section: Methodsmentioning

confidence: 99%

“…32 For simplicity, the experimental ester chains attached in fluorene moieties were replaced with methyl groups since longer alkyl chains are not expected to significantly affect the electronic properties of the single oligomeric chains. 27,33 3 | RESULTS AND DISCUSSION…”

Section: Computational Proceduresmentioning

confidence: 99%