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85163225899
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note
-
Complex 1 (77 K) presents an HS doublet with I.S. = 1.46, Q.S. = 3.45 and relative intensity = 37%, and an LS singlet with I.S. = 0.77, Q.S. = 0.26 and relative intensity = 63%.
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19
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85163228450
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-
note
-
Note that a normalisation of the data has been performed to take into account the residual fraction of 37% at 77 K, as measured by Mössbauer spectroscopy. Such a high residual fraction, although often ascribed to defaults, may arise from a thermal equilibrium between states of the same energy (ΔH = 0) but with different degeneracies and thus degrees of freedom.
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20
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27
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85163223743
-
-
note
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i is the calculated value.
-
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30
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3242706120
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31
-
-
85163233353
-
-
note
-
2 is not observed clearly in 1, probably because of overlap with metal to ligand charge transfer.
-
-
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33
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0027608975
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0242560405
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SAINT, Software Users Guide, Bruker Analytical X-ray Systems, version 6.0, 1999.
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