具有稳健构象稳定性的扭曲纳米石墨烯。

IF 4.4 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Nanomaterials Pub Date : 2024-10-30 DOI:10.3390/nano14211737
Penghui Song, Yoshifumi Hashikawa, Chaolumen
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引用次数: 0

摘要

由于缺乏合理地、有选择地合成扭曲纳米石墨烯的方法,我们通常不可避免地获得具有各种几何形状的纳米石墨烯混合物,如单向扭曲、交替扭曲、随机扭曲,甚至波浪形结构,这反映了它们之间的高活化障碍。否则,如果壁垒足够低,在热平衡下只能观察到平均特性,那么它们是可以相互转换的。最近,我们报道了一种双扭曲纳米石墨烯,其骨架中含有四个 [6]helicene 单元。在本文中,我们通过实验和计算讨论了这种纳米石墨烯的强大构象稳定性。结果表明,该纳米石墨烯只有在温度超过 200 °C 时才能发生外消旋化,而四个 [6] 螺旋烯单元中一个单元的首次翻转是降速步骤。
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Twisted Nanographenes with Robust Conformational Stability.

Owing to a lack of methodology for rationally and selectively synthesizing twisted nanographenes, it is usually inevitable that we obtain nanographenes as a mixture with various geometries, such as unidirectionally twisted, alternatively twisted, randomly twisted, and even wavy structures, reflecting the high activation barriers among them. Otherwise, they are interconvertible if the barriers are low enough such that only averaged properties can be observed under a thermal equilibrium. Recently, we reported on a double-twisted nanographene containing four [6]helicene units within the skeleton. In this paper, we discuss the robust conformational stability of the nanographene, both experimentally and computationally. The results indicate that the nanographene could only be racemized at temperatures exceeding 200 °C, and the first flip of one of the four [6]helicene units is the rate-degerming step.

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来源期刊
Nanomaterials
Nanomaterials NANOSCIENCE & NANOTECHNOLOGY-MATERIALS SCIENCE, MULTIDISCIPLINARY
CiteScore
8.50
自引率
9.40%
发文量
3841
审稿时长
14.22 days
期刊介绍: Nanomaterials (ISSN 2076-4991) is an international and interdisciplinary scholarly open access journal. It publishes reviews, regular research papers, communications, and short notes that are relevant to any field of study that involves nanomaterials, with respect to their science and application. Thus, theoretical and experimental articles will be accepted, along with articles that deal with the synthesis and use of nanomaterials. Articles that synthesize information from multiple fields, and which place discoveries within a broader context, will be preferred. There is no restriction on the length of the papers. Our aim is to encourage scientists to publish their experimental and theoretical research in as much detail as possible. Full experimental or methodical details, or both, must be provided for research articles. Computed data or files regarding the full details of the experimental procedure, if unable to be published in a normal way, can be deposited as supplementary material. Nanomaterials is dedicated to a high scientific standard. All manuscripts undergo a rigorous reviewing process and decisions are based on the recommendations of independent reviewers.
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