[o-C2B10H10]3 是球形芳香族碳硼烷的三聚体。球形芳香态之间的持续性和相互作用

IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL
Peter L. Rodriguez-Kessler , Alvaro Muñoz-Castro
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引用次数: 0

摘要

要设想基于团簇的材料,就必须从根本上了解团聚过程及其产生的特性。碳硼烷固有的球形芳香特性促使我们进一步评估这种特性在所形成的簇聚合体中的持久性。在此,我们评估了基于中性 [o-C2B10H12] 团簇在 [o-C2B10H10]3 形式上形成三聚体的情况。结果表明,在生成的三聚体聚合体中,组成建筑单元的固有球形芳香特性仍然保持为三个球形芳香状态。因此,可以从稳定的球形芳香单元中设想簇基材料,从而指导簇基聚合体的进一步实验实现。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

[o-C2B10H10]3 as a trimer aggregate of spherical aromatic carboranes. Persistence and interplay between spherical aromatic states

[o-C2B10H10]3 as a trimer aggregate of spherical aromatic carboranes. Persistence and interplay between spherical aromatic states
Envisaging cluster-based materials requires a fundamental understanding of the aggregation processes and resulting properties. The inherent spherical aromatic properties of carboranes trigger further evaluation of the persistence of such property in the resulting cluster aggregate. Here, we evaluated the formation of a trimeric species based on the neutral [o-C2B10H12] cluster on the [o-C2B10H10]3 form. The obtained results show that the inherent spherical aromatic characteristics of the constituent building units remain in the resulting trimer aggregate as three spherical aromatic states. Thus, cluster-based materials can be envisaged from stable spherical aromatic units, guiding further experimental realization of cluster-based aggregates.
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来源期刊
Chemical Physics Letters
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.
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