CaltechAUTHORS
  A Caltech Library Service

Comment on “Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation

Colussi, Agustín J. and Enami, Shinichi (2014) Comment on “Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation. Journal of Physical Chemistry C, 118 (5). p. 2894. ISSN 1932-7447. http://resolver.caltech.edu/CaltechAUTHORS:20140326-094348035

Full text is not posted in this repository. Consult Related URLs below.

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:20140326-094348035

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.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://pubs.acs.org/doi/abs/10.1021/jp500336gPublisherArticle
http://dx.doi.org/10.1021/jp500336gDOIArticle
ORCID:
AuthorORCID
Colussi, Agustín J.0000-0002-3400-4101
Enami, Shinichi0000-0002-2790-7361
Additional Information:© 2014 American Chemical Society. Received: January 11, 2014. Published: January 14, 2014. Publication Date (Web): January 14, 2014.
Record Number:CaltechAUTHORS:20140326-094348035
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20140326-094348035
Official Citation:Comment on “Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation” Agustín J. Colussi and Shinichi Enami The Journal of Physical Chemistry C 2014 118 (5), 2894-2894
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:44519
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:26 Mar 2014 19:39
Last Modified:26 Sep 2017 18:13

Repository Staff Only: item control page