Interaction of different metal ions with carboxylic acid group: a quantitative study.
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Summary
First-principles calculations based on density functional theory have been applied to study the interaction of different cations with the simplest carboxylic acid, acetic acid, that can result in formation of metal diacetates and find that the calculated M-O bond energies depend sensitively on the chemistry of M atom and follow the experimentally observed trends quite accurately.
- Type
- article
- Published
- 2007-06-23
- Cited by
- 217
- References
- 0
- OpenAlex
- https://openalex.org/W2077859007
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:11695686
Keywords
Ionic radius, Chemistry, Divalent, Metal, Ionic strength
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