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6
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0034506717
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(a) Aspinall, H. C.; Bickley, J. F.; Dwyer, J. L. M.; Greeves, N.; Kelly, R. V.; Steiner, A. Organometallics 2000, 19, 5416-5423.
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Dwyer, J.L.M.3
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Steiner, A.6
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8
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0038754592
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note
-
In ref 4, Aspinall et al. made a preliminary analysis which will be discussed in the following.
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9
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0037185317
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and references therein
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Quadrelii, E. A. Inorg. Chem. 2002, 41, 167-169 and references therein.
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Quadrelii, E.A.1
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10
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0038416486
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-
note
-
The angle θ is defined as the average of 2-1-1′-2′ and 9-1-1′-9′ dihedrals.
-
-
-
-
11
-
-
0038754590
-
-
note
-
3] 3 taken from ref 4a.
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-
-
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12
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0032495793
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Gröger, H.; Saida, Y.; Sasai, H.; Yamaguchi, K.; Martens, J.; Shibasaki, M. J. Am. Chem. Soc. 1998, 120, 3089-3103.
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Gröger, H.1
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Martens, J.5
Shibasaki, M.6
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13
-
-
0038077927
-
-
note
-
13C NMR spectra were assigned by a two-dimensional HETCOR experiment.
-
-
-
-
15
-
-
0038416488
-
-
note
-
The contact contribution is usually considered negligible, ref 11.
-
-
-
-
17
-
-
0038416487
-
-
note
-
Considering the differences that exist between diamagnetic spectra reported in ref 4a, one concludes that the Lu-Na complex 4 is the diamagnetic complex more akin to 1.
-
-
-
-
18
-
-
0038416491
-
-
note
-
C-H = 1.08 Å had no influence on the NMR data analysis through PERSEUS. One must take into account that the accuracy of paramagnetic NMR is limited by several factors (e.g., line width, bulk paramagnetism, neglect of contact terms).
-
-
-
-
19
-
-
0037740413
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-
note
-
13C were less accurate and did not improve the quality of the fitting.
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-
-
-
20
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0038754589
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Di Bari, L.; Pintacuda, G.; Ripoli, S.; Salvadori, P. Magn. Reson. Chem. 2002, 40, 396-405.
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Di Bari, L.1
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Ripoli, S.3
Salvadori, P.4
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22
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0038754591
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-
note
-
-1.
-
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23
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0006820164
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Alsaadi, B. M.; Rossotti, F. J. C.; Williams, R. J. P. J. Chem. Soc., Dalton Trans. 1980, 2151-2154.
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Alsaadi, B.M.1
Rossotti, F.J.C.2
Williams, R.J.P.3
-
24
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-
0037740409
-
-
note
-
1 of the diamagnetic complex 4.
-
-
-
-
25
-
-
0038416489
-
-
note
-
13C NMR spectra.
-
-
-
-
26
-
-
0038077928
-
-
note
-
For the analysis of the pseudocontact shifts of 1 and 3, Aspinall and coworkers (ref 4a) used the respective XRD structures, which are indeed different from each other. These authors, however, fail to observe that the symmetric XRD structure of 3 fits equally well the NMR spectra of both derivatives. The accord is less satisfactory for the artificially symmetrized structure of 1, instead, where a nonvanishing intercept must be introduced to fit the data.
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-
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27
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0034721438
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Di Bari, L.; Pintacuda, G.; Salvadori, P.; Dickins, R. S.; Parker, D. J. Am. Chem. Soc. 2000, 122, 9257-9264.
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Parker, D.5
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28
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0038077929
-
-
note
-
8-THF solution of 2.
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30
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0034647218
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Di Bari, L.; Pintacuda, G.; Salvadori, P. J. Am. Chem. Soc. 2000, 122, 5557-5562.
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35
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0003546549
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Berova, N., Nakanishi, K., Woody, R. W., Eds.; Wiley-VCH: New York; Chapter 12
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0002192433
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0034641234
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0029082936
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(a) Rosini, C.; Rosati, I.; Spada, G. P. Chirality 1995, 7, 353-358.
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0033988748
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0033832988
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Salvadori, P.3
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49
-
-
0037740411
-
-
note
-
b transition polarization and naphthalene long axis is found by CNDO calculations on 2-naphthoate (ref 38). See ref 32b for a discussion about the role played by transition polarizations on exciton-type calculations on 1,1′-binaphthyl derivatives.
-
-
-
-
50
-
-
36849098916
-
-
CNDO/S-CI calculations were carried out with a CNDO/M program, according to Del Bene and Jaffé's formulation [Del Bene, J.; Jaffé, H. H. J. Chem. Phys. 1968, 49, 1221-1229], with a Mataga approximation of two-electron repulsion integrals. Up to 60 singly excited states, with maximum energy values of 7.0 eV, were included in the CI. B3LYP-DFT optimized structures (carried out with Gaussian 94, Gaussian, Inc.: Pittsburgh, PA) were used as the input geometries.
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Del Bene, J.1
Jaffé, H.H.2
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0001251655
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3] is altered by the presence of a non-negligible amount of free BINOL, due to the partial decomposition of the complex [Peacock, R. D. and Siligardi, G., personal communications].
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Cross, R.J.1
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Taylor, D.S.C.5
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52
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0001251655
-
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personal communications
-
3] is altered by the presence of a non-negligible amount of free BINOL, due to the partial decomposition of the complex [Peacock, R. D. and Siligardi, G., personal communications].
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Peacock, R.D.1
Siligardi, G.2
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0028808574
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0004100191
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