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Molecular Engineering to Tune Functionality: The Case of Cl-Substituted [Fe(terpy) 2] 2+

Authors
  • Papp, Mariann
  • Keszthelyi, Tamás
  • Vancza, Andor
  • Bajnóczi, Éva G.
  • Kováts, Éva
  • Németh, Zoltán
  • Bogdán, Csilla
  • Bazsó, Gábor
  • Rozgonyi, Tamás
  • Vankó, György
Type
Published Article
Journal
Inorganic Chemistry
Publisher
American Chemical Society
Publication Date
Apr 11, 2023
Volume
62
Issue
16
Pages
6397–6410
Identifiers
DOI: 10.1021/acs.inorgchem.3c00271
PMID: 37039430
PMCID: PMC10131222
Source
PubMed Central
Disciplines
  • Article
License
Unknown

Abstract

Theory-based ligand engineering is applied to the [Fe(terpy)2]2+ complex with success: Cl substitution favorably modifies the electronic structure and potential energy landscape, resulting in increased excited quintet state lifetimes, thereby taking us closer to their application in molecular devices.

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