On-surface synthesis of antiaromatic and open-shell indeno[2,1-b]fluorene polymers and their lateral fusion into porous ribbons

Authors: Marco Di Giovannantonio1*, Kristjan Eimre1, Aliaksandr V. Yakutovich1, Qiang Chen2, Shantanu Mishra1, José I. Urgel1, Carlo A. Pignedoli1*, Pascal Ruffieux1, Klaus Müllen2, Akimitsu Narita2, Roman Fasel1*

  1. Empa, Swiss Federal Laboratories for Materials Science and Technology, nanotech@surfaces Laboratory, 8600 Dübendorf, Switzerland
  2. Max Planck Institute for Polymer Research, 55128 Mainz, Germany
  • Corresponding authors emails: marco.digiovannantonio@empa.ch, carlo.pignedoli@empa.ch, roman.fasel@empa.ch

DOI10.24435/materialscloud:2019.0053/v1 (version v1, submitted on 23 September 2019)

How to cite this entry

Marco Di Giovannantonio, Kristjan Eimre, Aliaksandr V. Yakutovich, Qiang Chen, Shantanu Mishra, José I. Urgel, Carlo A. Pignedoli, Pascal Ruffieux, Klaus Müllen, Akimitsu Narita, Roman Fasel, On-surface synthesis of antiaromatic and open-shell indeno[2,1-b]fluorene polymers and their lateral fusion into porous ribbons, Materials Cloud Archive (2019), doi: 10.24435/materialscloud:2019.0053/v1.

Description

This record contains the experimental and computational data needed to support the work done on on-surface synthesis of conjugated polymers consisting of indeno[2,1-b]fluorene units, which are antiaromatic and open-shell biradicaloids. The observed reaction products have been characterized via low-temperature scanning tunneling microscopy/spectroscopy and noncontact atomic force microscopy, complemented by density-functional theory calculations. These polymers present a low band gap when adsorbed on Au(111). Moreover, their pronounced antiaromaticity and radical character, elucidated by ab initio calculations, make them promising candidates for applications in electronics and spintronics. Further, they provide a rich playground to explore magnetism in low-dimensional organic nanomaterials.

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External references

Journal reference (Manuscript in which the data are discussed)
J. Am. Chem. Soc. 141 (31), 12346-12354 (2019) doi:10.1021/jacs.9b05335

Keywords

density functional theory MARVEL/DD3 on surface reactions polymers antiaromatic NICS

Version history

23 September 2019 [This version]