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dc.creatorThompson, G. A.en_US
dc.creatorLindsay, D. M.en_US
dc.date.accessioned2006-06-15T14:36:23Z
dc.date.available2006-06-15T14:36:23Z
dc.date.issued1980en_US
dc.identifier1980-TH'-6en_US
dc.identifier.urihttp://hdl.handle.net/1811/11427
dc.description$^{1}$ R. C. McMillan, J. Phys. Chem. Solids 25, 773 (1964). $^{2}$ M.P. Klein, W.D. Knight, J. Phys. Chem. Solids 15, 335 (1960); L. Wilk, A. H. MacDonald, S. H. Vosko, Can. J. Phys. 57, 1065 (1975).en_US
dc.descriptionAuthor Institution:en_US
dc.description.abstractESR spectra for $^{39}K_{5}$, formed collaterally with $^{39}K_{3}$ (preceding paper), show the expected pattern for a single unpaired electron equally distributed over three magnetically equivalent potassium nuclei. The absence of resolved hf from the remaining two nuclei is consistent with an unpaired electron wave function having two nodes and a corresponding polarization interaction considerably smaller than in the $K_{3}$ case. In the accompanying table isotropic hf [FIGURE] splitting constants (a, Gauss) and corresponding spin populations ($\rho$) pertain to ""valence"" and polarization interactions, subscripts 0 and 3, respectively. Measured isotropic spin populations for $K_{5}$ were compared with values predicted by simple Huckel calculations for a range of possible geometries. Since only the chain structure gives unpaired spin populations ($\rho_{o} = 1/3$ on 3 atoms; $\rho_{3} = 0$ on the remaining two) in agreement with the measured results, this suggests a linear ($^{2}\Sigma_{g}{^{+}}$) or ""zig-zag"" ($^{2}A_{1}$) ground state for $K_{5}$. The parameter $\xi_{n} = |\psi_{n} (o)|^{2}/|\psi_{A}(o)|^{2}$ decreases monotonically towards the value for bulk potassium $\xi_{P}= 0.7-0.9^{2}$, suggesting a growing participation of non s-state character with increasing cluster size.en_US
dc.format.extent184239 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleESR SPECTRA OF MATRIX ISOLATED POTASSIUM PENTAMERSen_US
dc.typearticleen_US


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