Microhydration of a benzoic acid molecule and its dissociation
Author:
Affiliation:
1. Homi Bhabha National Institute
2. Training School Complex
3. Mumbai-400094
4. India
5. Bhabha Atomic Research Centre
Abstract
C6H5COOH requires at least eight H2O molecules for its dissociation. A linear correlation is observed between pKa and nH2O; an unknown pKa can thus be predicted.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2017/NJ/C7NJ01245D
Reference42 articles.
1. High-Resolution Spectroscopic Studies of Complexes Formed by Medium-Size Organic Molecules
2. Quantum Chemical Investigations on Molecular Clusters
3. Proton transfer reactions and dynamics in protonated water clusters
4. Hydrated Acid Clusters
5. Vibrational spectral signature of the proton defect in the three-dimensional H + (H 2 O) 21 cluster
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