Published January 14, 2014
| public
Journal Article
Comment on "Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation
- Creators
- Colussi, Agustín J.
- Enami, Shinichi
Abstract
Tabe et al. recently argued (on the basis of calculations) that the protonation of trimethylamine (TMA) on the surface of pH ≤ 4 water^2 reflects that TMA is a much weaker base at the surface than in bulk water (pK_(a,TMA) = 9.8) and conjectured that "if another indicator species (X) were used which is less stabilized at the surface than its protonated form (XH+), we would expect an apparently opposite shift of pK_a". It appears that Tabe et al. have overlooked the experiments we had performed using indicator species covering a wide range of acidity constants, which clearly fail to support their prediction.
Additional Information
© 2014 American Chemical Society. Received: January 11, 2014. Published: January 14, 2014. Publication Date (Web): January 14, 2014.Additional details
- Eprint ID
- 44519
- DOI
- 10.1021/jp500336g
- Resolver ID
- CaltechAUTHORS:20140326-094348035
- Created
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2014-03-26Created from EPrint's datestamp field
- Updated
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2021-11-10Created from EPrint's last_modified field