ENTROPY-DRIVEN STRUCTURES OF THE HEXAAQUA-SODIUM(I)
SCIE
SCOPUS
- Title
- ENTROPY-DRIVEN STRUCTURES OF THE HEXAAQUA-SODIUM(I)
- Authors
- KIM, J; KIM, KS; MHIN, BJ
- Date Issued
- 1993-12-31
- Publisher
- ELSEVIER SCIENCE BV
- Abstract
- Thermodynamic energies of hydrated sodium ions predicted by extensive ab initio calculations are in excellent agreement with experiment. The hexaaqua-Na(I) ion shows entropy-driven structures: the primary hydration number is 4 at low temperatures and 5 at near room temperatures in spite of the fact that the coordination number generally decreases with increasing temperature. One semi-free water molecule in the outer shell is responsible for the sudden decrease in the absolute magnitude of the successive entropy change.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/22012
- DOI
- 10.1016/0009-2614(93)90099-M
- ISSN
- 0009-2614
- Article Type
- Article
- Citation
- CHEMICAL PHYSICS LETTERS, vol. 216, no. 3-6, page. 305 - 308, 1993-12-31
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- There are no files associated with this item.
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