UCL Discovery
UCL home » Library Services » Electronic resources » UCL Discovery

New functionalisation reactions of graphitic carbon nitrides: Computational and experimental studies

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. Green open access

[thumbnail of Clancy_New functionalisation reactions of graphitic carbon nitrides- Computational and experimental studies_VoR.pdf]
Preview
Text
Clancy_New functionalisation reactions of graphitic carbon nitrides- Computational and experimental studies_VoR.pdf - Published Version

Download (3MB) | Preview

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
Downloads since deposit
0Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item