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11+ unit fill all but the highest antibonding orbital., which is half-filled.
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5. Use of the eigenvalues from this Hamiltonian and the Van Vleck equation produces the equation given in the text, Though the exchange coupling mechanism is unknown, it is likely to be via spin polarization through the bridging ligands.
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15. The numbers given here, for comparison, are therefore twice the values listed in ref 26. We also note that in ref 26 there are errors in eqs 5 and 6, but it is impossible to tell whether these are only typographical errors, or whether the incorrect equations were actually used.
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It should be noted that even though oxidation of 1 to 2 changes the electronic structure as to favor application to devices such as reversible molecular switches, such oxidation is accompanied by significant chemical changes (i.e., removal of axial chloride ions). Currently we are studying ways to eliminate exchange of axial ligands.
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