Publication date: Jul 15, 2020
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
MD5md5:24dd76ae808ba98f73cbb057fdf46703
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18.0 KiB | ReadMe file in yaml format describing the list of files |
data.tgz
MD5md5:ba7c79d7bf62d03c09bf99daa08b7f09
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11.6 MiB | tar file containing files described in ReadME.yaml |
calculations_figs_3c_4c_S4_S5.aiida
MD5md5:8286ba6e977f444a5fdf5de15fb41871
Open this AiiDA archive on renkulab.io (https://renkulab.io/)
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1.0 GiB | AiiDA archive with nodes for different calculations |
2020.76 (version v1) [This version] | Jul 15, 2020 | DOI10.24435/materialscloud:zt-m2 |