半莫比乌斯拓扑分子

Full article and list of author affiliations: https://doi.org/10.1126/ science.aea3321 Igor Rončević†, Fabian Paschke†, et al. INTRODUCTION: Topologically nontrivial molecules are rare but highly appealing because of their unusual electronic structure, with profound implications on stability, coherent transport, and aromaticity. To realize such systems, chemists have long theorized about molecules with geometries resembling a Möbius strip where the p-orbitals form a helical basis, potentially giving rise to a Möbius topology and helical orbitals. The properties of topologically nontrivial molecules are challenging to predict and remain largely unexplored, rendering them excellent systems to benchmark theoretical approaches. RATIONALE: An sp-hybridized carbon atom has two mutually orthogonal p-orbitals without a fixed orientation, allowing different orbital bases for a given geometry. …