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| Title: | The pervasive solvent-separated sodium chloride ion pair in water-DMSO mixtures |
| Authors: | DAS, AK
TEMBE, BL |
| Keywords: | constrained molecular-dynamics
dimethyl-sulfoxide
mean force
na+-na+
simulation
methanol
cl |
| Issue Date: | 1999 |
| Publisher: | INDIAN ACADEMY SCIENCES |
| Citation: | PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES, 111(2), 353-360 |
| Abstract: | Sodium chloride exists as a contact ion pair (CIP) as well as a solvent-separated ion pair (SSIP) in its solutions in water and in dimethyl sulphoxide (DMSO). In a mixture of these two solvents, the CIP is not formed in the two mixture compositions with chi(DMSO) = 0.35 and 0.21 and the ions stay as the SSIP near an interionic distance of 5.0 Angstrom. This has been shown by constructing the ion-ion potentials of mean force and by following the ion-pair trajectories initiated at various initial ion-pair separations in the two solvent mixtures. |
| URI: | http://dspace.library.iitb.ac.in/xmlui/handle/10054/8732
http://hdl.handle.net/10054/8732 |
| ISSN: | 0253-4134 |
| Appears in Collections: | Article
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