• Media type: E-Article
  • Title: Comparing the structures and photophysical properties of two charge transfer co-crystals
  • Contributor: Abou Taka, Ali; Reynolds, Joseph E.; Cole-Filipiak, Neil C.; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M.
  • Published: Royal Society of Chemistry (RSC), 2023
  • Published in: Physical Chemistry Chemical Physics
  • Extent: 27065-27074
  • Language: English
  • DOI: 10.1039/d3cp03720g
  • ISSN: 1463-9076; 1463-9084
  • Keywords: Physical and Theoretical Chemistry ; General Physics and Astronomy
  • Abstract: <jats:p>The HOMO (H) of the Npe donor and the LUMO (L) of the acceptor (TCNB, TCNQ) resemble the H and L of the donor:acceptor complexes, respectively (Npe:TCNB, Npe:TCNQ). These orbital similarities correlate to a large degree of charge transfer in the H to L electronic transition.</jats:p>
  • Description: <jats:p>The HOMO (H) of the Npe donor and the LUMO (L) of the acceptor (TCNB, TCNQ) resemble the H and L of the donor:acceptor complexes, respectively (Npe:TCNB, Npe:TCNQ). These orbital similarities correlate to a large degree of charge transfer in the H to L electronic transition.</jats:p>
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