A Topological Approach to Organic Superconductors and Ferromagnets

这个项目是由堪萨斯州立大学的Andrzej Rajca在 有机动力学计划，旨在发展 超导铁磁有机化合物 特性. 目前已知的例子很少， 这些性质通常仅限于无机固体。 使用 具有类似金属性质的有机物将提供丰富的 由于易于制造和随后的 用有机化学的标准方法改性性能 合成. 因为分子的电子结构和键合， 实体受拓扑（和对称性）的影响，拓扑 研究有机超导体和铁磁体的方法将是 就业。 多碳负离子、自由基和自由基阴离子 π-共轭烃，具有高度简并的最高 将制备占据的非键合分子轨道。 的 这些轨道的简并性和唯一的离域性 拓扑而不是对称起源。 第一，理论上 预测的影响，特殊的拓扑结构上的 电荷分布、基态多重性和其他 将测试分子特性。 其次，固体将 准备;费米能级的态密度，带宽，和 将获得其它重要的固态性质， 与它们的分子对应物相比。 最后，固体 将检查铁磁性， 超导性

This project by Andrzej Rajca at Kansas State University within the Organic Dynamics Program, is aimed at the development of organic compounds with superconducting and ferromagnetic properties. Very few examples are currently known, with such properties most often confined to inorganic solids. The use of organics with metallic-like properties will provide a wealth of possibilities due to ease of fabrication and subsequent modification of properties by standard methods of organic synthesis. Because the electronic structure and bonding of molecules and solids is affected by topology (and symmetry), a topological approach to organic superconductors and ferromagnets will be employed. Multi-carbanions, radicals, and radical anions of pi-conjugated hydrocarbons with highly degenerate highest occupied, non-bonding molecular orbitals will be prepared. The degeneracy and unique delocalization of these orbitals have a topological rather than symmetry origin. First, theoretical predictions about the impact of the special topology on the charge distribution, ground state multiplicities, and other molecular properties will be tested. Second, solids will be prepared; density of states at the Fermi level, band width, and other important solid state properties will be obtained and compared to their molecular counterparts. Finally, the solids will be examined with respect to ferromagnetism and superconductivity.