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67650349300
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The CO bands of 5 appear at 2021 and 1964 cm-1. For experimental details, see the Supporting Information.
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The CO bands of 5 appear at 2021 and 1964 cm-1. For experimental details, see the Supporting Information.
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19
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67650404355
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The reaction mixture containing intermediate A also showed characteristic peaks in the area of C-O stretching vibrations (t-BuO). However, the mixture possibly contained t-BuOH (and t-BuOK), and the peaks in this area were not easy to assign.
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The reaction mixture containing intermediate A also showed characteristic peaks in the area of C-O stretching vibrations (t-BuO). However, the mixture possibly contained t-BuOH (and t-BuOK), and the peaks in this area were not easy to assign.
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20
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67650361848
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2O vapor was not constant (which it seldom is), a peak in this region might not be visible. Indeed, in our first experiments, the system contained so much humidity that a lot of noise in this region made it difficult to detect the acyl peak.
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2O vapor was not constant (which it seldom is), a peak in this region might not be visible. Indeed, in our first experiments, the system contained so much humidity that a lot of noise in this region made it difficult to detect the acyl peak.
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22
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39649084219
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(b) Dutta, B.; Scopelliti, R.; Severin, K. Organometallics 2008, 27, 423.
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0009253094
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25
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67650401594
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acyl; see note 13). Even if the shifts are reversed, the structural conclusions remain the same.
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acyl; see note 13). Even if the shifts are reversed, the structural conclusions remain the same.
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26
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0000759223
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Taube, D. J.; Rokicki, A.; Anstock, M.; Ford, P. C. Inorg. Chem. 1987, 26, 526.
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27
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67650355656
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5Cp; Cp∧ = 1-MeO-2,3,4-tris(neopentyl)Cp.
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5Cp; Cp∧ = 1-MeO-2,3,4-tris(neopentyl)Cp.
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28
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67650392199
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13C NMR shifts were 205.3 (acyl) and 211.4 ppm (CO). For experimental details, see the Supporting Information.
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13C NMR shifts were 205.3 (acyl) and 211.4 ppm (CO). For experimental details, see the Supporting Information.
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29
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67650413788
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The computed barrier for the corresponding exchange of chloride for tertbutoxide in 3 is 16.7 kcal/mol see ref 5
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The computed barrier for the corresponding exchange of chloride for tertbutoxide in 3 is 16.7 kcal/mol (see ref 5).
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30
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0039025887
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For a discussion of avoiding high-energy pathways in ligand exchange, see
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For a discussion of avoiding high-energy pathways in ligand exchange, see: Casey, C. P.; Vosejpka, P. C.; Underiner, T. L.; Slough, G. A.; Gavney, J. A. J. Am. Chem. Soc. 1993, 115, 6680
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Casey, C.P.1
Vosejpka, P.C.2
Underiner, T.L.3
Slough, G.A.4
Gavney, J.A.5
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