Boron centres allow design, control and systematic tuning of neutral homoaromatics for functionalization purposes

Mattock, James D and Vargas, Alfredo (2018) Boron centres allow design, control and systematic tuning of neutral homoaromatics for functionalization purposes. ChemPhysChem, 19 (19). pp. 2525-2533. ISSN 1439-7641

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Abstract

Homoaromatic compounds are currently viewed more as an interesting novelty with little to no practical application. Based on calculations within density functional theory, we show that the unique charge redirection properties of tricoordinate boron, along with it being isolobal to a carbocation allow for a larger range of two‐electron donors to be utilized, leading to the rational design of homoaromatic compounds better suited to functionalization. Among others, these compounds show a strong dependency on the relative positioning of the hetero‐atoms within the ring system, a modulation control rendered possible by the insertion of the boron centres.

Item Type: Article
Schools and Departments: School of Life Sciences > Chemistry
Subjects: Q Science > QD Chemistry
Depositing User: Alfredo Vargas
Date Deposited: 21 Jun 2018 15:13
Last Modified: 13 Jun 2019 01:00
URI: http://sro.sussex.ac.uk/id/eprint/76647

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