University of Sussex
Browse
Mattock_et_al-2018-ChemPhysChem.pdf (1.54 MB)

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

Download (1.54 MB)
journal contribution
posted on 2023-06-09, 13:51 authored by James D Mattock, Alfredo VargasAlfredo Vargas
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.

History

Publication status

  • Published

File Version

  • Accepted version

Journal

ChemPhysChem

ISSN

1439-7641

Publisher

Wiley

Issue

19

Volume

19

Page range

2525-2533

Department affiliated with

  • Chemistry Publications

Full text available

  • Yes

Peer reviewed?

  • Yes

Legacy Posted Date

2018-06-21

First Open Access (FOA) Date

2019-06-13

First Compliant Deposit (FCD) Date

2018-06-21

Usage metrics

    University of Sussex (Publications)

    Categories

    No categories selected

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC