Chemical Science symposium 2023: Chemistry of polymers

Emission tuning for thin films owing to polymer: small molecule interactions Enrique Pérez-Gutiérrez 1 , Franciso D. Calvo 2 and M. Judith Percino 1 1 Unidad de Polímeros y Electrónica Orgánica, Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla, México, 2 Decanatura de Ingenierías, Universidad Popular Autónoma de Puebla, México Abstract The change in the emission wavelength for polymer:small-molecule thin films is reported. Polyvinylcarbazole (PVK) with acrylonitrile derivative compounds were blended at different ratios. The small-molecule with an acrylonitrile core was functionalized with phenyl, pyridine ( Ia - Id ), or methyl phenyl ( IIa - IIb ) rings [1-3]. The PVK:dye blends were prepared at different ratios from 0.0:100 to 80:20. The emission wavelength ( λ em ) for blends with ratio 0.0:100 was about 450 nm; by decreasing the dye content, a bathochromic shift was observed. For the ratio 80:20, the λ em was at 540-560 nm, accordingly to the dye. The bathochromic shift can be assigned to the exciplex formation. Optical and morphological characterization was conducted for all the films. The films with better parameters were used as active layers in OLEDs. References 1. Percino, M. J.; Cerón, M.; Ceballos, P.; Soriano-Moro, G.; Castro, M. E.; Chapela, V. M.; Bonilla-Cruz, J.; Reyes-Reyes, M.; López-Sandoval, R.; Siegler, M. A. Important Role of Molecular Packing and Intermolecular Interactions in Two Polymorphs of (Z)-2-Phenyl-3-(4-(Pyridin-2-Yl)Phenyl)Acrylonitrile. Preparation, Structures, and Optical Properties. J. Mol. Struct. 2014 , 1078 , 74–82. https://doi.org/10.1016/j.molstruc.2014.04.088. 2. Udayakumar, M.; Cerón, M.; Ceballos, P.; Percino, M. J.; Thamotharan, S. Correlation between Structural and Optical Properties of π-Conjugated Acrylonitrile Derivatives: Insights from X-Ray, Energy Frameworks, TD-DFT and Charge Density Analysis. J. Mol. Struct. 2020 , 1213 , 128174. https://doi.org/10.1016/j.molstruc.2020.128174. 3. Percino, M. J.; Udayakumar, M.; Cerón, M.; Pérez-Gutiérrez, E.; Venkatesan, P.; Thamotharan, S. Weak Noncovalent Interactions in Two Positional Isomers of Acrylonitrile Derivatives: Inputs from PIXEL Energy, Hirshfeld Surface and QTAIM Analyses. Front. Chem. 2023 , 11 . https://doi.org/10.3389/fchem.2023.1209428.

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