镉介导球形-平面和球形-球形芳香族铅基团簇向扩展团簇材料聚集

IF 3.1 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemical Physics Letters Pub Date : 2025-09-04 DOI:10.1016/j.cplett.2025.142394

Peter L. Rodríguez-Kessler , Alvaro Muñoz-Castro

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引用次数: 0

摘要

球形和平面芳香结构是形成团簇基材料的相关构建单元。[Pb9CdCdPb9]6−和[Pb9CdPh]3−表现为球形芳香[Pb9]4−zintl离子团簇和平面芳香-Ph的球形芳香单元结合的原型聚集体。我们的研究结果揭示了母体单位的固有芳香特征在整体聚集体中被保留，其特征是相邻芳香态的屏蔽锥之间的相互作用。对于[Pb9CdCdPb9]6−，得到了相当大的公共屏蔽区域增强。因此，进一步的探索性合成工作可以从明确的球形和平面芳香单元中合理设计和构思，以寻求基于zintl离子簇的新型材料。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Cadmium mediated aggregation of spherical-planar and spherical-spherical aromatic lead-based clusters towards extended cluster materials

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Cadmium mediated aggregation of spherical-planar and spherical-spherical aromatic lead-based clusters towards extended cluster materials

Spherical and planar aromatic structures are relevant building units for forming cluster-based materials. [Pb₉CdCdPb₉]⁶⁻ and [Pb₉CdPh]³⁻ species, appears as prototypical aggregates combining spherical-spherical and spherical-planar aromatic units, based on the spherical aromatic [Pb₉]⁴⁻ Zintl-ion cluster and planar aromatic -Ph. Our results expose the inherent aromatic characteristics of the parent units to be retained at the overall aggregate, featuring the interplay between enabled shielding cones from adjacent aromatic states. For [Pb₉CdCdPb₉]⁶⁻, a sizably enhance of the common shielding regions is obtained. Thus, further explorative synthesis efforts can be rationally designed and conceived from well-defined spherical and planar aromatic units in the quest for novel materials based on Zintl-ions clusters.

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来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.