Dipartimento di Scienze Chimiche e Geologiche, Università di Cagliari, Unità di Ricerca dell'INSTM, S.S. 554-Bivio per Sestu, 09042 Cagliari, Italy.
Dipartimento di Ingegneria Meccanica Chimica e dei Materiali, Università di Cagliari, Via Marengo 2, 09123 Cagliari, Italy.
Molecules. 2023 Mar 11;28(6):2566. doi: 10.3390/molecules28062566.
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.
本文重新研究了一系列基于铂-二硫烯配合物的电子给体(D)和电子受体(A)电荷转移(CT)近红外吸收剂的堆积相互作用,也使用了 Hirshfeld 表面分析。对表现出 D 和 A 之间 1:1、2:1 和 2:2 柱状堆积模式的体系进行了这项分析,使我们能够指出,在堆积相互作用中涉及到几个原子和片段的相互作用,但也只有这些相互作用的有限部分,仅限于 1:1 D/A 柱状堆积的情况,与这类化合物的吸收特征有关。