Is there a trend in inductive effect for different alkyl groups?

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 <sup>13</sup>C NMR chemical shift diverges significantly from the calculated Hirshfeld charges, and we consider the latter to be a more reliable indicator of charge distribution.

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Publication Details

Journal
RSC Advances
Published
2025-01-01
DOI
https://doi.org/10.1039/d5ra03716f
Citations
4
Primary Topic
Molecular spectroscopy and chirality
Type
article
Field-Weighted Citation Impact
3.03

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article

Is there a trend in inductive effect for different alkyl groups?

Benjamin D. Ward, Colan E. Hughes, Peter J. Knowles, Mark C. Elliott
4 citations
RSC Advances
Molecular spectroscopy and chirality
3.03
article

Is there a trend in inductive effect for different alkyl groups?

Benjamin D. Ward, Colan E. Hughes, Peter J. Knowles, Mark C. Elliott
article en
4 citations

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 <sup>13</sup>C NMR chemical shift diverges significantly from the calculated Hirshfeld charges, and we consider the latter to be a more reliable indicator of charge distribution.

RSC AdvancesVol. 15(27)
Cardiff University (GB)
Cardiff University, European Regional Development Fund
Gender equality
Openalex Percentile: Top 9%
Molecular spectroscopy and chirality
3.03
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