Parkes, Ellen;
Lisowska, Karolina;
McMillan, Paul F;
Corà, Furio;
Clancy, Adam J;
(2022)
New functionalisation reactions of graphitic carbon nitrides: Computational and experimental studies.
Journal of Chemical Research
, 46
(1)
pp. 1-12.
10.1177/17475198211073888.
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Abstract
The functionalisation of two-dimensional materials is key to modify their properties and facilitate assembly into functional devices. Here, new reactions have been proposed to modify crystalline two-dimensional carbon nitrides of polytriazine imide structure. Both amine alkylation and aryl-nitrene-based reactions have been explored computationally and with exploratory synthetic trials. The approach illustrates that alkylation is unfavourable, particularly at basal-plane sites. In contrast, while initial trial reactions were inconclusive, the radical-addition of nitrenes is shown to be energetically favourable, with a preference for functionalising sheet edges to minimise steric effects.
| Type: | Article |
|---|---|
| Title: | New functionalisation reactions of graphitic carbon nitrides: Computational and experimental studies |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1177/17475198211073888 |
| Publisher version: | https://doi.org/10.1177%2F17475198211073888 |
| Language: | English |
| Additional information: | This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third-party material in this article are included in the Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
| UCL classification: | UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry UCL > Provost and Vice Provost Offices > UCL BEAMS UCL |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10144487 |
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