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note
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-1).
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25
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12944326159
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note
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w = 0.102, 2102 independent reflections.
-
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-
26
-
-
12944324080
-
-
note
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The magnetic interaction in 1 or 2 is considered to be derived not from the intermolecular origin but from the intramolecular one, since the temperature-dependent magnetic susceptibility can be fitted theoretically by using an S-T model.
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27
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0011786481
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32
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0030765985
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1 = 19.6 MHz. Therefore, the intense peak was assigned to the triplet unoxidized diradical with a small D value. For field-swept 2D-ESTN spectroscopy applied to triplet and quartet species in nonoriented media, see: Stato, K.; Yano, M.; Furuichi, M.; Shiomi, D.; Takui, T.; Abe, K.; Itoh, K.; Higuchi, A.; Katsuma, K.; Shirota, Y., J. Am. Chem. Soc. 1997, 119, 6607-6613.
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34
-
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12944326160
-
-
note
-
+• are quartets or nearly degenerate doublets still remains from the experimental side, the quartet states of them are calculated to be more stable than their doublet states by 4.6 and 4.3 kcal/mol, respectively, by a PM3/UHF method.
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