The ionic hydrogen bond and ion solvation. 2. Solvation of onium ions by one to seven water molecules. Relations between monomolecular, specific, and bulk hydrogen

Content Provider	Semantic Scholar
Author	Meot-Ner, M.
Copyright Year	1984
Abstract	The relation between enthalpies of solvation of onium ions, BH/sup +/, by one water molecule, -..delta..H/sup 0//sub 0/ /sub 1/, and by four water molecules, -..delta..H/sup 0//sub 0/ /sub 4/, is constant for most onium ions: ..delta..H/sup 0//sub 0/ /sub 4//..delta..H/sup 0//sub 0/ /sub 1/ is 2.8 +/- 0.1 for all oxonium ions and monoprotonic ammonium and pyridium ions, and 3.1 +/- 0.1 for polyprotonic ammonium ions. These relations, in conjunction with the correlation between ..delta..H/sup 0//sub 0/ /sub 1/ and the proton affinity difference (..delta..PA = PA(B) - PA(H/sub 2/O)), allow the prediction of the total four-molecule specific hydration energy -..delta..H/sup 0//sub 0/ /sub 4/ for all onium ions within the experimental accuracy of +/-3 kcal mol/sup -1/. The observed (or predicted) fourfold specific relative hydration energies simulate closely the relative bulk hydration enthalpies for most ions. In other words, for most onium ions differential hydration effects are determined by specific hydrogen-bonding interactions. Deviations are useful to identify bulk solvation effects. For example, such deviations indicate attenuated bulk solvation of ions with phenyl substituents. 5 figures, 2 tables.
Starting Page	1265
Ending Page	1272
Page Count	8
File Format	PDF HTM / HTML
DOI	10.1021/ja00317a016
Volume Number	106
Alternate Webpage(s)	http://ramonhernandezacademicresources.weebly.com/uploads/6/0/0/2/6002909/mautner_jacs_1984_106_1265.pdf
Alternate Webpage(s)	https://doi.org/10.1021/ja00317a016
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article