Looking into the future of molecules with novel topological symmetries
Looking into the future of molecules with novel topological symmetries
复制标题
展望具有新颖拓扑对称性的分子的未来
DOI：
10.1007/s10910-019-01042-z
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发表时间：
2019
影响因子：
1.7
通讯作者：
V. Rosenfeld
中科院分区：
文献类型：
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作者：
V. Rosenfeld
本文的主题包括几个相互作用的主题。主要主题是合成具有新颖拓扑对称性的分子的可能性。分子的拓扑对称性是其分子图的对称性。由于未来的纳米分子合成将使用 3D 打印机在技术上进行，因此合成者需要指定分子中原子的精确坐标位置。此类输入数据可以通过分析将设想的分子嵌入到立体化学上合适的晶格（金刚石、石英等）中来获得。在这里，我们初步考虑了一些计算和理论方法。该研究正在进行中，并需要进一步扩展讨论。
The subject of this paper includes several interacting topics. The major topic is the possibility of synthesizing molecules with novel topological symmetries. The topological symmetry of a molecule is symmetry of its molecular graph. Since the future nanomolecular synthesis will be technologically carried out using the 3D printer, synthesists will need to specify the exact coordinate positioning of atoms in a molecule. Such input data can be obtained from the analysis of the embeddings of an envisioned molecule into a stereochemically suitable crystal lattice (of diamond, quartz, etc.). Herein, we preliminarily consider some computational and theorematic approaches to this. The research is ongoing and supposes further extended discussion.