Publication date: Oct 12, 2020
In this record we provide data to support our recent findings for the fabrication of Unsaturated Carbon Nanostructures with Regularly Fused Pentagon–Heptagon Pairs. Multiple fused pentagon–heptagon pairs are frequently found as defects at the grain boundaries of the hexagonal graphene lattice and are suggested to have a fundamental influence on graphene-related materials. However, the construction of sp2-carbon skeletons with multiple regularly fused pentagon–heptagon pairs is challenging. In this work, we found that the pentagon–heptagon skeleton of azulene was rearranged during the thermal reaction of an azulene-incorporated organometallic polymer on Au(111). The resulting sp2-carbon frameworks were characterized by high-resolution scanning probe microscopy techniques and feature novel polycyclic architectures composed of multiple regularly fused pentagon–heptagon pairs. Moreover, the calculated analysis of its aromaticity revealed a peculiar polar electronic structure.
No Explore or Discover sections associated with this archive record.
|11.7 KiB||ReadMe file in yaml format listing the files contained in the record|
|8.3 MiB||Archive containing provenance of calculations done with AiiDA|
|12.4 MiB||Archive containing all data of the record|