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(b) Walter, M. D.; Berg, D. J.; Andersen, R. A. Organometallics 2006, 25, 3228-3237.
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Walter, M.D.1
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65
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(c) Schultz, M.; Boncella, J. M.; Berg, D. J.; Don Tilley, T.; Andersen, R. A. Organometallics 2002, 21, 460-472.
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Schultz, M.1
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66
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27344445340
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Ruiz, E.1
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0000255736
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Bleaney, B.1
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68
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70450167193
-
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2.
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2.
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69
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21144444971
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Paul, F.; Toupet, L.; Roisnel, T.; Hamon, P.; Lapinte, C. Compt. Rend. Chim. 2005, 8, 1174-1185.
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Paul, F.1
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70
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21144444971
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Paul, F.1
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Hamon, P.4
Lapinte, C.C.R.5
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71
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27544472326
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Paul, F.; Toupet, L.; Thépot, J.-Y.; Costuas, K.; Halet, J.-F.; Lapinte, C. Organometallics 2005, 24, 5464-5478.
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Paul, F.1
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Lapinte, C.6
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72
-
-
70450167194
-
-
2 should be quite exclusively populated below 70 K ( > 99.8%), whereas ca. 33% of the corresponding triplet state should be present at ambient temperatures (300 K) and ca. 42% at 380 K.
-
2 should be quite exclusively populated below 70 K ( > 99.8%), whereas ca. 33% of the corresponding triplet state should be present at ambient temperatures (300 K) and ca. 42% at 380 K.
-
-
-
-
73
-
-
70450147325
-
-
13C NMR spectra do not bring any additional information regarding the electronic structure of these species and are therefore reported as Supporting Information along with the proposed assignments for the detected signals.
-
13C NMR spectra do not bring any additional information regarding the electronic structure of these species and are therefore reported as Supporting Information along with the proposed assignments for the detected signals.
-
-
-
-
74
-
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0007258905
-
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Bertini, I.1
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75
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0003296426
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(b) Golding, R. M.; Pascual, R. O.; Vrbancich, J. Mol. Phys. 1976, 31, 731-744.
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78
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0001712683
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Kriley, C.E.1
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-
79
-
-
70450167131
-
-
27,47
-
27,47
-
-
-
-
81
-
-
0006416603
-
-
Borden, W. T., Ed.; Wiley-Interscience: New York
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Platz, M. S. In Diradicals; Borden, W. T., Ed.; Wiley-Interscience: New York, 1982; pp 195-258.
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, pp. 195-258
-
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Platz, M.S.1
-
85
-
-
70450167132
-
-
2.
-
2.
-
-
-
-
90
-
-
70450147373
-
-
H) are directly used in eq 6b, very close values for the corresponding spin densities can be obtained (Supporting Information). This amounts to neglect of the pseudocontact contribution from metal center to these values.
-
H) are directly used in eq 6b, very close values for the corresponding spin densities can be obtained (Supporting Information). This amounts to neglect of the pseudocontact contribution from metal center to these values.
-
-
-
-
91
-
-
0015527086
-
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(a) Wicholas, M.; Mustacich, R.; Jayne, D. J. Am. Chem. Soc. 1972, 94, 4518-4522.
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Wicholas, M.1
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0001933508
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(b) La Mar, G. N.; Eaton, G. R.; Holm, R. H.; Walker, F. A. J. Am. Chem. Soc. 1973, 95, 63-75.
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La Mar, G.N.1
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-
93
-
-
70450178713
-
-
5)Fe relative to the bridging ligand were considered. Even though our conformational study was not exhaustive, each system always reorganized itself into to a unique geometry regardless of the starting geometry considered. It has to be noted that NMR indicates the fluxionality of the metallic end groups in solution.
-
5)Fe relative to the bridging ligand were considered. Even though our conformational study was not exhaustive, each system always reorganized itself into to a unique geometry regardless of the starting geometry considered. It has to be noted that NMR indicates the fluxionality of the metallic end groups in solution.
-
-
-
-
94
-
-
70450151698
-
-
57 Given that their geometries do not correspond to those of the authentic singlet states, more pronounced differences can be expected between the structural arrangement of the triplet and the "true" singlet states.
-
57 Given that their geometries do not correspond to those of the authentic singlet states, more pronounced differences can be expected between the structural arrangement of the triplet and the "true" singlet states.
-
-
-
-
97
-
-
0030737249
-
-
(a) Nishino, M.; Yamanaka, S.; Yoshioka, Y.; Yamaguchi, K. J. Phys. Chem. A 1997, 101, 705-712.
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99
-
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34547139543
-
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Ruiz, E.; Alvarez, S.; Cano, J.; Polo, V. J. Chem. Phys. 2006, 124, 107102.
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Ruiz, E.1
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-
100
-
-
70450147439
-
-
H values are found for a similar atomic spin density in the dinuclear complexes.
-
H values are found for a similar atomic spin density in the dinuclear complexes.
-
-
-
-
101
-
-
70450147324
-
-
6] are included in the plot.
-
6] are included in the plot.
-
-
-
-
102
-
-
70450167098
-
-
29 Moreover, the DFT calculations were presently conducted on a single conformation in a vacuum, without any counterion, whereas the experimental data were gathered on interconverting conformers in solution, which constitutes another potential source of discrepancy.
-
29 Moreover, the DFT calculations were presently conducted on a single conformation in a vacuum, without any counterion, whereas the experimental data were gathered on interconverting conformers in solution, which constitutes another potential source of discrepancy.
-
-
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103
-
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0001142706
-
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Adamo, C.; Subra, R.; Di Matteo, A.; Barone, V. J. Chem. Phys. 1998, 109, 10244-10254.
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1642617329
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4243542678
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Rajca, A. Chem. Rev. 1994, 94, 871-893.
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Borden, W.T.1
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-
-
70450168616
-
-
6] (compare Table 3 and Chart 5).
-
6] (compare Table 3 and Chart 5).
-
-
-
-
109
-
-
40149085767
-
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38749137426
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70450167191
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70450151727
-
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84 spectroscopies are well-known to constitute accurate reporters of bonding changes between spin isomers.
-
84 spectroscopies are well-known to constitute accurate reporters of bonding changes between spin isomers.
-
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132
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53549107194
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136
-
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70450168636
-
-
17 but no sensible value could be determined in this case.
-
17 but no sensible value could be determined in this case.
-
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137
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70450151659
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