Experimental and computational studies of the optical properties of 2,5,8-tris(phenylthiolato)heptazine with an inverted singlet-triplet gap

Daniel Blasco, Rinat T. Nasibullin, Rashid R. Valiev, Miguel Monge, Jose M. Lopez-de-Luzuriaga, Dage Sundholm

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Volume26
Issue number7
Pages (from-to)5922-5931
Number of pages10
ISSN1463-9076
DOIs
Publication statusPublished - 30 Jan 2024
MoE publication typeA1 Journal article-refereed

Fields of Science

  • Activated delayed fluorescence
  • Excited-states
  • Basis-sets
  • Molecules
  • Polarization
  • Heptazines
  • Violation
  • Design
  • Rule
  • Cc2
  • 116 Chemical sciences

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