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

Mahaan, Ramalingam; Panneerselvam, Murugesan; Costa, Luciano T.; Bosco, Aruljothy John

doi:10.1039/d4me00131a

Mol. Syst. Des. Eng.

2025

DOI: 10.1039/d4me00131a

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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 versus TADF

Ramalingam Mahaan,

Murugesan Panneerselvam,

Luciano T. Costa

et al.

Abstract: 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.

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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 versus TADF

Abstract: 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.

Cited by 0 publications

References 60 publications

No citations

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