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33750037743
-
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note
-
eff = 9.6 and 4.3). It is also possible that these signals arise from a weakly coupled dimer of spin 5/2 centers, though preliminary simulations are not conclusive. A Q-band spectrum of this species was also measured, but the general shape of the spectrum is the same.
-
-
-
-
41
-
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33750066460
-
-
note
-
An alternative proposal is that one species is five-coordinate, but this should lead to a much larger quadrupole splitting whereas the quadrupole splittings observed are similar to those of the six-coordinate species 2red and 3red.
-
-
-
-
42
-
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33750085137
-
-
note
-
The A and D values determined in this fit are not unambiguously defined and should he considered to he approximately correct.
-
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43
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note
-
In this case, it was found to be necessary to perform the oxidation at -40 °C and in a glassy carbon vessel to prevent decomposition.
-
-
-
-
45
-
-
33750036519
-
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note
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-1, E/D = 0.33 (the rhombic limit) is also possible. In this case, the A values change to {-28.4, -16.0, -.3.6} T.
-
-
-
-
46
-
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33750041491
-
-
note
-
The calculations were performed using two different basis sets of double-ζ and triple-ζ quality. Though changing the basis set results only in minor differences in the resulting geometries, for practical purposes, the results of only the triple-ζ calculations shall be used in our discussion.
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