Publication date: Oct 26, 2020
The record contains data that support our recent findings in the fabrication of cumulene containing polymers. Cumulene compounds are notoriously difficult to prepare and study because their reactivity increases dramatically with the increasing number of consecutive double bonds. In this respect, the emerging field of on‐surface synthesis provides exceptional opportunities because it relies on reactions on clean metal substrates under well‐controlled ultrahigh‐vacuum conditions. In the work we report the on‐surface synthesis of a polymer linked by cumulene‐like bonds on a Au(111) surface via sequential thermally activated dehalogenative C−C coupling of a tribenzoazulene precursor equipped with two dibromomethylene groups. The structure and electronic properties of the resulting polymer with cumulene‐like pentagon–pentagon and heptagon–heptagon connections have been investigated by means of scanning probe microscopy and spectroscopy methods and X‐ray photoelectron spectroscopy, complemented by density functional theory calculations.
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ReadMe.yaml
MD5md5:74b30fd1f6b63e4b8f22fc636895bdf0
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15.8 KiB | ReadMe file in yaml format listing the content of the record |
data.tgz
MD5md5:34cbe13f22b9c2039139fccc11019d50
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17.1 MiB | Archive file containing experimental data |
calculations.aiida
MD5md5:82d4747231d1c912b1f82a65b6626997
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964.4 MiB | Archive file containing provenance of calculations done with AiiDA |
2020.131 (version v1) [This version] | Oct 26, 2020 | DOI10.24435/materialscloud:tx-ht |