ISSN:
1573-9171
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Conclusions 1. The electronic structures of PH3 +, PMe3 + and PCl3 + cation-radicals have been analyzed through localized density components. The spin density distribution in these systems can be described in terms of electron localization on the various atoms and bonds. 2. The bs(PX) spin localization terms have zero value at the P nucleus, and make zero contribution to Ap. In interpreting the isotropic distribution at the P nucleus, attention can be fixed on n(P), the localized density component corresponding to unpaired electron localization on the P atom. 3. Calculated ρ′sPsP vsϕ XPX curves proved to be essentially different from those used in estimatingϕ XPX through the Atkins-Symons model.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00946520
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