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33747783356
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note
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Alternatively, it could be considered that the barrier for the silyl migration in (R/S)-4/5 is lowered by the ruthenium catalyst present.
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0004171599
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Wiley-VCH, Weinheim, Federal Republic of Germany p 420
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Braun S., Kalinowski H.-O., and Berger S. 150 and More Basic NMR Experiments: A Practical Course (1998), Wiley-VCH, Weinheim, Federal Republic of Germany p 420
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Braun, S.1
Kalinowski, H.-O.2
Berger, S.3
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28
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33747802529
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note
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The Diels-Alder adducts of (R/S)-7/8 and (R/S)-9/10 with tetracyanoethylene were detected by direct inlet infusion MS analyses of the reaction mixtures. Due to the low yields of these reactions and the similar physical and chemical characteristics of the products and the unreacted starting material, the compounds formed could not be isolated in pure form.
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29
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33747773492
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note
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It is notable that the calculated Gibb's free energies defining the equilibrium for the [1,5]-silatropic shifts in (R/S)-9/10 as well as in (R/S)-4/5 are far too high compared to the experimentally obtained values reported in Table 1. The ΔG and difference in the electronic energy ΔE were therefore calculated for (R/S)-9/10 with several methods and are tabulated in Supplementary data with related discussion.
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33747763075
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SYBYL 7.1; Tripos: St. Louis, MO, USA, 2005.
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37
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15744375697
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Gaussian, Wallingford, CT
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Gaussian 03, Revision C.02 (2004), Gaussian, Wallingford, CT
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Gaussian 03, Revision C.02
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