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MDPI, Molecules, 6(28), p. 2566, 2023

DOI: 10.3390/molecules28062566

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Near-IR Absorbers Based on Pt(II)-Dithiolene Donor–Acceptor Charge-Transfer (CT) Systems: A Structural Analysis to Highlight DA Interactions

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The packing interactions of a series of electron donor (D) and electron acceptor (A) charge transfer (CT) near-IR absorbers based on platinum-dithiolene complexes are reinvestigated here as a case study also by using the Hirshfeld surface analysis. This analysis on systems, which exhibit the 1:1, 2:1 and 2:2 columnar stacking patterns between D and A, allows us to point out that several interactions of atoms and fragments are involved in the stacking interactions but also that only a limited fraction of these interactions, limited to the 1:1 D/A columnar stacking case, can be relatable to the absorption features of this class of compounds.