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Abstract <p>The Ir(ppy)<sub>3</sub> complex was studied by dissociative electron attachment spectroscopy (DEAS). Measurements of the lifetime of the molecular anion allowed estimation of electron affinity in the range of <i>EA</i><sup>LT</sup>&#xa0;=&#xa0;0.82–0.94 eV at 465–515 K, while calculations in the density functional theory (DFT) approximation predict an underestimated value of 0.33 eV. The results are discussed in comparison with the previously studied Alq3 complex, for which <i>EA</i><sup>LT</sup> lies in the range of 0.9–1.02 eV determined by DEAS and molecular ion photoelectron spectroscopy, which is in good agreement with the calculated value obtained by DFT.</p>

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Dissociative Electron Capture and Electron Affinity of Ir(ppy)3 and Alq3 Complexes

  • 期刊论文

  • 发表日期：

    2026年3月1日

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  • N. L. Asfandiarov,
  • M. V. Muftakhov,
  • N. L. Zaitsev,
  • S. A. Pshenichnyuk,
  • A. V. Kukhto

摘要

Abstract

The Ir(ppy)3 complex was studied by dissociative electron attachment spectroscopy (DEAS). Measurements of the lifetime of the molecular anion allowed estimation of electron affinity in the range of EALT = 0.82–0.94 eV at 465–515 K, while calculations in the density functional theory (DFT) approximation predict an underestimated value of 0.33 eV. The results are discussed in comparison with the previously studied Alq3 complex, for which EALT lies in the range of 0.9–1.02 eV determined by DEAS and molecular ion photoelectron spectroscopy, which is in good agreement with the calculated value obtained by DFT.