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1H NMR signal (which is the averaged resonance of free ethylene oxide and species where it serves as a ligand) becomes more and more shifted and broadened and the integral perturbed as can be seen in Figure 1.
-
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32
-
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0344603756
-
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2Cl unit.
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33
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0344603757
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note
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19 was considered as well.
-
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34
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0344172098
-
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note
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2 at higher sample concentrations, so that the integration errors become larger in the second period of the reaction.
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To be accurate, all equilibria 2 is involved in would have to be considered, but in agreement with the experimental results it can be assumed that these quickly adjust and also that 2 is a major compound in solution. Moreover, neither reaction ii nor the decomposition processes were considered, but this should be appropriate for the first periods of the reactions.
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Plus enantiomers, which also form as the propylene oxide employed was not enantiomerically pure, but these of course have identical NMR properties.
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t in the form of two enantiomers which, however, naturally show the same NMR spectra.
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49
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0344603743
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1, but it would not be appropriate to try to deduce any information from their intensities.
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen18
Wong, W.M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
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