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On-surface synthesis of polyazulene with 2,6-connectivity

Qiang Sun1*, Ian Cheng-Yi Hou2, Kristjan Eimre1, Carlo A. Pignedoli1*, Pascal Ruffieux1*, Akimitsu Narita2,3*, Roman Fasel1,4*

1 nanotech@surfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 DĂĽbendorf, Switzerland

2 Max Planck Institute for Polymer Research, 55128 Mainz, Germany

3 Organic and Carbon Nanomaterials Unit, Okinawa Institute of Science and Technology Graduate University, 1919-1 Tancha, Onna-son, Kunigami, Okinawa 904-0495, Japan

4 Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland

* Corresponding authors emails: qiang.sun@empa.ch, carlo.pignedoli@empa.ch, pascal.ruffieux@empa.ch, narita@mpip-mainz.mpg.de, roman.fasel@empa.ch
DOI10.24435/materialscloud:zt-m2 [version v1]

Publication date: Jul 15, 2020

How to cite this record

Qiang Sun, Ian Cheng-Yi Hou, Kristjan Eimre, Carlo A. Pignedoli, Pascal Ruffieux, Akimitsu Narita, Roman Fasel, On-surface synthesis of polyazulene with 2,6-connectivity, Materials Cloud Archive 2020.76 (2020), doi: 10.24435/materialscloud:zt-m2.

Description

Azulene, the smallest neutral nonalternant aromatic hydrocarbon, serves not only as a prototype for fundamental studies but also as a versatile building block for functional materials because of its unique opto(electronic) properties. The record contains data to support our recent work where we report the on-surface synthesis and characterization of the homopolymer of azulene connected exclusively at the 2,6-positions using 2,6-diiodoazulene as the monomer precursor. Properties of carbon-based aromatic systems are sensitively determined by their bond topologies. So far, much attention has been paid to the design and synthesis of aromatic materials like conjugated polymers and nanographenes constituted by alternant hydrocarbons, which do not possess odd-membered rings. In contrast, incorporation of non-alternant hydrocarbons has only rarely been explored.

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ReadMe.yaml
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18.0 KiB ReadMe file in yaml format describing the list of files
data.tgz
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11.6 MiB tar file containing files described in ReadME.yaml
calculations_figs_3c_4c_S4_S5.aiida
MD5md5:8286ba6e977f444a5fdf5de15fb41871
1.0 GiB AiiDA archive with nodes for different calculations

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Journal reference
Q. Sun, I.C. Hou, K. Eimre, C.A. Pignedoli, P. Ruffieux, A. Narita, R. Fasel, Chem. Commun. 55, 13466-13469 (2019) doi:10.1039/C9CC07168G

Keywords

MARVEL/DD3 SNSF ab initio on surface synthesis azulene

Version history:

2020.76 (version v1) [This version] Jul 15, 2020 DOI10.24435/materialscloud:zt-m2