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1442311976
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note
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1H NMR spectra of 2-A, five signals were seen at -60°C. When the solution was warmed, three of them were broadened and disappeared. At 50°C two sharp and one broad peak were observed in a ratio of 1:1:3. Only three signals were visible in a ratio of 1:3:1 from -80°C to room temperature in the spectra of 2-B. All of these results suggested that the CO exchange processes of 1-B or 2-B were much faster than those of 1-A or 2-A. Details are described in the Supporting in the Supporting Information.
-
-
-
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47
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1442287405
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note
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298 = 2 ± 5 cal/mol·deg for the reaction 1-B to 1-A, which are in agreement with those obtained by the first-order kinetics shown in the text. Details are reported in the Supporting Information.
-
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-
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49
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1442336411
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note
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6b We carried out the rearrangement between 1-A and 1-B in the presence of aceanthrylene and that between 2-A and 2-B in the presence of acenaphthylene. In both of the experiments, no scrambling of the aromatic ring took place. We consider that this is good support for ruling out the intermolecular mechanism.
-
-
-
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50
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1442336409
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note
-
EHMO calculations were performed on a PC version of the EHMO program purchased from Kodansha Scientific, Ltd.: Details are described in the Supporting Information.
-
-
-
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51
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1442336410
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to be published
-
DFT calculations of 1-A* and 1-B* support that photoirradiation put one electron into a σ* orbital of the Fe-Fe bond: Mogi, K.; Niibayashi, S.; Matsubara, K.; Nagashima, H., to be published.
-
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Mogi, K.1
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Matsubara, K.3
Nagashima, H.4
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52
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1442360861
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note
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3), whereas no luminescence was observed for 1-A.
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53
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0033599481
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For recent studies: See the following literature and references therein. (a) Kobatake, S.; Yamada, T.; Uchida, K.; Kato, N.; Irie, M. J. Am. Chem. Soc. 1999, 121, 2380.
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1442336412
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note
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9 are a = 10.056(7) Å, b = 16.089(10) Å, c = 9.376(6) Å, α = 90°, β = 91.53(9)°, and γ = 90°, Z = 4.
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60
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1442287407
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note
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Annealing of the pellets containing 1-A and 1-B resulted in a significant change of their IR spectra (IR-A and IR-B, respectively). Conversion of microcrystalline to amorphous may cause this change, which is promoted by photolysis of 1-A or thermal treatment of 1-B.
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-
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61
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0003708387
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Technical Report of the Crystallography Laboratory; University of Nijmegen: The Netherlands
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(a) Beurskens, P. T.; Admiraal, G.; Beurskens, G.; Bosman, W. P.; de Gelder, R.; Israel, R.; Smits, J. M. M. The DIRDIF-94 program system, Technical Report of the Crystallography Laboratory; University of Nijmegen: The Netherlands, 1994.
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0004150157
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University of Göttingen: Germany
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(b) Sheldrick, G. M. SHELXL-97; University of Göttingen: Germany, 1997.
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Sheldrick, G.M.1
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65
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1442360860
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note
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We attempted to measure DSC for the determination of ΔG° under an inert gas atmosphere; however, two overlapping peaks barely assignable were observed.
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