First order calculations of spin densities in ClO2-4 and ClO4
β Scribed by J. Oddershede; J. Linderberg
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 377 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
A method for calculating induced spin densities is developed, considering only first order terms in the electronic repulsion. Approximate calculations nre performed for the two free radicats ClO2$'and CIQ4. The calculated Fermi contact energies for the 38Cl isotope in ClOT and CfO are -138 MHz and 12.4 MHz which should be compared with the experimental values 187 MHz and 11.7 % IHz by Byberg and
π SIMILAR VOLUMES
Equivalent conductances and apparent molar volumes of Al(cIO.&, Be(CIO,)l, and Cu(ClO,), in N,N-dimethylacetamide at 25Β°C are reported. The limiting equivalent conductances, the first step association constants. and the apparent molar volumes at infinite dilution are derived and discussed in terms o