Jump to main content
Jump to site search

Issue 19, 2015
Previous Article Next Article

Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes

Author affiliations

Abstract

A series of nine complexes and 109 literature examples containing a carboxylic acid functional group and a pyridine functional group on separate molecules follow the ΔpKa rule such that proton transfer occurs at values above 3 to form a molecular salt and none at values below 0 to form a co-crystal. In the intermediate range, there is a predominance of molecular salt over co-crystal formation. The complexes discussed show that calculated pKa's are good predictors of the outcome.

Graphical abstract: Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes

Back to tab navigation

Supplementary files

Article information


Submitted
16 Jan 2015
Accepted
24 Feb 2015
First published
24 Feb 2015

This article is Open Access

CrystEngComm, 2015,17, 3591-3595
Article type
Communication
Author version available

Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes

A. Lemmerer, S. Govindraju, M. Johnston, X. Motloung and K. L. Savig, CrystEngComm, 2015, 17, 3591
DOI: 10.1039/C5CE00102A

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
  • For reproduction of material from PCCP:
    [Original citation] - Published by the PCCP Owner Societies.
  • For reproduction of material from PPS:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
  • For reproduction of material from all other RSC journals:
    [Original citation] - Published by The Royal Society of Chemistry.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.


Social activity

Search articles by author

Spotlight

Advertisements