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Solvent effects: 6. A comparison between gas phase and solution acidities

✍ Scribed by Wiberg, Kenneth B.; Castejon, Henry; Keith, Todd A.

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
409 KB
Volume
17
Category
Article
ISSN
0192-8651

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✦ Synopsis

A new ab initio reaction field model has been applied to the calculation of the change in free energy of ionization on going from the gas phase to dimethylsulfoxide solution for a series of weak organic acids. In most cases, the observed change in free energy is reproduced within the experimental uncertainty of the gas phase experimental data. 0 1996 by John Wiley & Sons, Inc.

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