Elliott, Mark C.  ORCID: https://orcid.org/0000-0003-0132-0818, Hughes, Colan E., Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 and Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940
2025.
Is there a trend in inductive effect for different alkyl groups?
RSC Advances
15
(27)
, pp. 21780-21784.
10.1039/d5ra03716f
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License URL: https://creativecommons.org/licenses/by/3.0/
License Start date: 25 June 2025
Official URL: https://doi.org/10.1039/d5ra03716f
Abstract
We find there to be no significant difference between the inductive effects of four representative alkyl groups as determined by Hirshfeld charge analysis. The use of alkyl group electronegativity values shows no meaningful correlation with the electron-withdrawing/donating ability of the alkyl groups. The 13C NMR chemical shift diverges significantly from the calculated Hirshfeld charges, and we consider the latter to be a more reliable indicator of charge distribution.
| Item Type: | Article |
|---|---|
| Date Type: | Published Online |
| Status: | Published |
| Schools: | Schools > Chemistry |
| Additional Information: | License information from Publisher: LICENSE 1: URL: https://creativecommons.org/licenses/by/3.0/, Start Date: 2025-06-25 |
| Publisher: | Royal Society of Chemistry |
| Date of First Compliant Deposit: | 27 June 2025 |
| Date of Acceptance: | 19 June 2025 |
| Last Modified: | 27 Jun 2025 15:00 |
| URI: | https://orca.cardiff.ac.uk/id/eprint/179372 |
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