Mariusz Kozik

Blue Electron Distributions in Diamagnetic Reduced Heteropoly Tungstates. Insights Concerning Conduction Pathways and Spin Coupling Patterns. 183W NMR Chemical Shift Calculations

This is a paper in a continuing series about roles played by delocalized “blue” electrons and by unpaired electrons in determining properties and structures of heteropoly complexes and their blue reduction products. 183W NMR data for α-[SiW12O40]4-, α-[P2W18O62]6-, α-[P2Mo3W15O62]6-, α-[P2Mo6W12O62]6-, α1-[P2MoW17O62]6-, and α2-[P2MoW17O62]6- and the diamagnetic 2-electron reduction products of these, are combined with our earlier interpretations, yielding new insights about blue electron distributions, pathways for blue electron conduction and delocalization, and energy factors that determine these. MoVI is more easily reduced than WVI. Therefore, in each diamagnetic completely spin-coupled 2e-reduction product of the monomolybdenum derivatives, one of the added electrons is “anchored” on the Mo while the other is rapidly thermally hopping among several belt W’s.