K+ coordination in aqueous solution
โ Scribed by G.W. Neilson; N. Skipper
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 256 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
The fust-order difference method of neutron drffraction has been applied to a 4 molal solution of potassium chloride in heavy warer. Isotopes of 3gK and 41K were present in different amounts in the two samples enabling the derivatron of the total radial distribution function for the potassium ion. The results show that the K+-water configuration is signiflcantly weaker than that observed for the Li+ ion It is aIso shown that recent results of computer simulation are in good agreement with experiment.
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The present article is concerned with proton transfer reactions in aqueous solution of open-chain, macrocyclic and macropolycyclic or cage compounds having nitrogen atoms as protonation sites in the molecular framework, although several compounds with additional different donors will be considered.
Neutron diffraction studies have been carried out on aqueous solutions of 2m nickel sulphate and 4.3 molal nickel nitrate in heavy water. Results derived from the first difference isotopic substitution method show that the Ni\*+ hydration is relatively unaffected by the nature of the counterion, alb
## Abstract For Abstract see ChemInform Abstract in Full Text.
A Monte Carlo simulation for a methane molecule within a cluster of 202 water molecules is presented and compared with previous studies by Scheraga and Beveridge. Whereas the structural information obtained agrees with previous fmdings, the energy points to the need for a very large number of Monte