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The Role of Percent Volume Buried in the Characterization of Copper(I) Complexes for Lighting Purposes

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Authors: Murat Alkan-Zambada, Edwin C. Constable, Catherine E. Housecroft

Year

2020

Paper ID

28201

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

105

Citations

20

Abstract

The usefulness of percent volume buried (%V<sub>bur</sub>) as a readily quantifiable property is investigated with regard to [Cu(NN)(PP)]<sup>+</sup> complexes of interest for lighting purposes. Photoluminescence quantum yields (PLQYs) and single crystal X-ray structures of 100 reported compounds were assembled, %V<sub>bur</sub> of the ligand systems were calculated and analyzed for correlations. We found that increased shielding of the central Cu(I) cation relying on shared contributions of both (NN) and (PP) ligand systems led to increased PLQYs. These findings are of relevance for future characterizations of Cu(I)-based complexes and their photophysical behavior in the solid-state.

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  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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  • The usefulness of percent volume buried (%Vbur) as a readily quantifiable property is investigated with regard to [Cu(NN)(PP)]+ complexes of interest for lighting purposes.

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References & Citation Signals

[1] DOI https://doi.org/10.3390/molecules25112647 [2] Publisher https://www.mdpi.com/1420-3049/25/11/2647

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