二维超配位化学:挑战与前景

IF 16.8 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Wiley Interdisciplinary Reviews: Computational Molecular Science Pub Date : 2024-01-30 DOI:10.1002/wcms.1699
Bingyi Song, Li-Ming Yang
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引用次数: 0

摘要

平面超配位化合物令人着迷,但实现起来却充满挑战。稳定和制造此类化合物的困难阻碍了我们深入了解这些化合物并探索其潜在应用。从分子层面深入了解可行的超配位化合物的形成机理是这一领域发展的关键。本综述旨在总结这方面的最新进展。正多边形 ALCN(A 和 L 是中心原子和配位原子,CN 是配位数)是普遍适用的模型,用于推导构成原子的半径与正多边形角度之间的统一数学关系,两个典型的例子是 Gr14LCN 和 TMBCN(Gr14 是第 14 族元素,TM 是过渡金属,B 是硼)。针对二维超坐标晶体 ALx(x 为成分比)的结构,提出了有效的方案和一些有用的经验法则。针对二维超基性晶体提出了一套设计流程图和若干有效的设计策略和原则。并讨论和总结了二维超坐标晶体的各种潜在应用。绘制了平面超配位化学的宏伟蓝图。最后,展望了二维超化学的未来前景:
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Two-dimensional hypercoordinate chemistry: Challenges and prospects

Planar hypercoordinate compounds are fascinating but challenging to be realized. The difficulty in stabilizing and fabricating such compounds prevent us from in-deep understanding these compounds and exploring potential applications. Molecular-level insights on underlying mechanism for the formation of viable hypercoordinate compounds is the key towards the development of this field. This review aims to summarize recent advances in this direction. Regular polygons ALCN (A and L are central and ligand atoms, CN is coordination number) are generally applicable models used to derive the unified mathematical relations between the radii of constitute atoms and the angles of regular polygons as exemplified by two typical examples Gr14LCN and TMBCN (Gr14 is Group 14 element, TM is transition metal, B is boron). Effective schemes and some useful rule of thumb are proposed towards the architecture of 2D hypercoordinate crystals ALx (x is composition ratio). A set of design flow chart and several effective design strategies and principles are suggested for 2D-HyperMaters. Potential diverse applications of 2D-HyperMaters are discussed and summarized. Grand blueprint for planar hypercoordinate chemistry is drew. Finally, future prospects of 2D-HyperChem is outlooked.

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来源期刊
Wiley Interdisciplinary Reviews: Computational Molecular Science
Wiley Interdisciplinary Reviews: Computational Molecular Science CHEMISTRY, MULTIDISCIPLINARY-MATHEMATICAL & COMPUTATIONAL BIOLOGY
CiteScore
28.90
自引率
1.80%
发文量
52
审稿时长
6-12 weeks
期刊介绍: Computational molecular sciences harness the power of rigorous chemical and physical theories, employing computer-based modeling, specialized hardware, software development, algorithm design, and database management to explore and illuminate every facet of molecular sciences. These interdisciplinary approaches form a bridge between chemistry, biology, and materials sciences, establishing connections with adjacent application-driven fields in both chemistry and biology. WIREs Computational Molecular Science stands as a platform to comprehensively review and spotlight research from these dynamic and interconnected fields.
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