dc.creator Thompson, G. A. en_US dc.creator Lindsay, D. M. en_US dc.date.accessioned 2006-06-15T14:36:23Z dc.date.available 2006-06-15T14:36:23Z dc.date.issued 1980 en_US dc.identifier 1980-TH'-6 en_US dc.identifier.uri http://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.description Author Institution: en_US dc.description.abstract ESR 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.extent 184239 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title ESR SPECTRA OF MATRIX ISOLATED POTASSIUM PENTAMERS en_US dc.type article en_US
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