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This strategy is exemplified by the acid-catalyzed hydration of olefins compared with hydroboration-oxidation protocols
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This strategy is exemplified by the acid-catalyzed hydration of olefins compared with hydroboration-oxidation protocols.
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79955698998
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(a) The full catalytic cycle of Ni-catalyzed alkyne-aldehyde couplings using NHC ligand and organosilane as reductant was calculated using B3LYP/LANL2DZ-6-31G(1) (d) and is included in the Supporting Information
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(a) The full catalytic cycle of Ni-catalyzed alkyne-aldehyde couplings using NHC ligand and organosilane as reductant was calculated using B3LYP/LANL2DZ-6-31G(1) (d) and is included in the Supporting Information.
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33
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79954488900
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(b) Kinetic study of Ni(NHC)-catalyzed ynal cyclizations using organosilane reductant is also consistent with the oxidative cyclization mechanism: Baxter, R. D.; Montgomery, J. J. Am. Chem. Soc. 2011, 133, 5728-5731.
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79955677635
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bur calculations
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bur calculations.
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35
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(b) Poater, A.; Cosenza, B.; Correa, A.; Giudice, S.; Ragone, F.; Scarano, V.; Cavallo, L. Eur. J. Inorg. Chem. 2009, 1759.
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(b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
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41
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79955692450
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The z axis is defined as the axis along the center of the forming C-C bond and the Ni atom
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The z axis is defined as the axis along the center of the forming C-C bond and the Ni atom.
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42
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79955692295
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(a) For a related theoretical study of 2D contour plots of NHC ligands, see ref 9
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(a) For a related theoretical study of 2D contour plots of NHC ligands, see ref 9.
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43
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78651237614
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(b) For use of steric maps to rationalize enantioelective conjugate additions, see: Poater, A.; Ragone, F.; Mariz, R.; Dorta, R.; Cavallo, L. Chem. Eur. J. 2010, 16, 14348.
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44
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79955684983
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"X" is the position of the carbon atom on the distal alkyne substituent that is directly bonded to the triple bond
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"X" is the position of the carbon atom on the distal alkyne substituent that is directly bonded to the triple bond.
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45
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79955697318
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This could be observed in the steric contours of these ligands; see Supporting Information for details
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This could be observed in the steric contours of these ligands; see Supporting Information for details.
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