Unveiling the influence of oxidation state and heavy atom effects in chalcogen group on boron centered D(X)BNA core: a computational study on RTP <i>versus</i> TADF
The effects of heavy atoms and oxidation states in chalcogen groups on D(X)BNA cores, combined with substitutions of weak and strong donors, led to the identification of potential TADF and RTP molecules among the 14 molecules.
Authors
- Aruljothy John Bosco (ORCID: https://orcid.org/0000-0002-1052-3206)
- Luciano Tavares da Costa (ORCID: https://orcid.org/0000-0002-9967-4034)
- Murugesan Panneerselvam (ORCID: https://orcid.org/0000-0002-4815-3837)
- Ramalingam Mahaan (ORCID: https://orcid.org/0000-0002-7722-3515)
Institutions
- SRM Institute of Science and Technology (IN)
- Universidade Federal Fluminense (BR)
- Karpagam Academy of Higher Education (IN)
Publication Details
- Journal
- Molecular Systems Design & Engineering
- Published
- 2024-11-07
- DOI
- https://doi.org/10.1039/d4me00131a
- Citations
- 7
- Primary Topic
- Organic Light-Emitting Diodes Research
- Type
- article
- Field-Weighted Citation Impact
- 1.46
Funders
- SRM Institute of Science and Technology
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
- Conselho Nacional de Desenvolvimento Científico e Tecnológico
- Petrobras
- Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro
- Fundação Coordenação de Projetos, Pesquisas e Estudos Tecnológicos