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Arduengo and co-workers also reported "an air stable carbene", see the following
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Arduengo and co-workers also reported "an air stable carbene", see the following: Arduengo, A. J.; Davidson, F.; Dias, H. V. R.; Goerlich, J. R.; Khasnis, D.; Marshall, W. J.; Prakasha, T. K. J. Am. Chem. Soc. 1997, 119, 12742-12749.
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Prakasha, T.K.7
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19
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36549000812
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Recently, different imidazole-2-ylidene derivatives have been dissolved in silicone oils, and this mixture has been found to be stable in air for months. This finding has been rationalized considering a stabilizing effect by formation of pentacoordinate silicon compounds, see the following
-
Recently, different imidazole-2-ylidene derivatives have been dissolved in silicone oils, and this mixture has been found to be stable in air for months. This finding has been rationalized considering a stabilizing effect by formation of pentacoordinate silicon compounds, see the following: Bonette, F.; Kato, T.; Destarac, M.; Mignani, G.; Cossío, F. P.; Baceiredo, A. Angew. Chem.. Int. Ed. 2007, 46, 8632-8635.
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33750386593
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Insertion of carbenes into O-H bonds is also known with alcohols see ref la, and in the case of highly stabilized carbenes this reaction was found to be reversible. See the following
-
Insertion of carbenes into O-H bonds is also known with alcohols (see ref la), and in the case of highly stabilized carbenes this reaction was found to be reversible. See the following: Enders, D.; Breuer, K.; Raabe, G.; Runsink, J.; Teles, J. H.; Melder, J. P.; Ebel, K.; Brode, S. Anrew. Chem.. Int. Ed. End. 1995, 34, 1021.
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Brode, S.8
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26
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0029875262
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Imidazole-2-ylidene has aromatic properties, see the following: a Boeme, C.; Frenking, G
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Imidazole-2-ylidene has aromatic properties, see the following: (a) Boeme, C.; Frenking, G. J. Am. Chem. Soc. 1996, 118, 2039-2046.
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(a) Teles, J. H.; Melder, J. P.; Ebel, K.; Schneider, R.; Gehrer, E.; Harder, W.; Brode, S.; Enders, D.; Breuer, K.; Raabe, G. Helv. Chim. Acta 1996, 79, 61-83.
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0016270590
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It is worthy to note that, in the case of thiazolium salts apart from the proton exchange, the addition of the hydroxide to the C 2, followed by the ring opening, has also been observed, and has also been suggested as the possible reason for the facile absorption of thiamine into the cells. See the following: a
-
It is worthy to note that, in the case of thiazolium salts apart from the proton exchange, the addition of the hydroxide to the C (2), followed by the ring opening, has also been observed, and has also been suggested as the possible reason for the facile absorption of thiamine into the cells. See the following: (a) Duclos, J. M.; Haake, P. Biochemistry 1974, 13, 5358.
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(a) Dupont, J.; de Souza, R. F.; Suarez, P. A. Z. Chem. Rev. 2002, 102, 3667-3692.
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This methodology has recently been successfully used to model the hydrolysis of silyl-ethers. For more detailed discussion of the model, and the accuracy of the B3LYP method compared to MP2, see the following
-
This methodology has recently been successfully used to model the hydrolysis of silyl-ethers. For more detailed discussion of the model, and the accuracy of the B3LYP method compared to MP2, see the following: Terleczky, P.; Nyulászi, L. J. Phys. Chem. A 2009, 113, 1096-1104.
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Terleczky, P.1
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47
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4243539377
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RI-MP2 and RI-B97-D single point energies have been calculated by the Turbomole 5.10 program package
-
(b) RI-MP2 and RI-B97-D single point energies have been calculated by the Turbomole 5.10 program package: Ahlrichs, R.; Bär, M.; Häser, M.; Horn, H.; Kölmel, C. Chem. Phys. Lett. 1989, 162, 165.
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33746563448
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z.ast; single point energies have been calculated by the QjChem 3.2 program package "Advances in methods and algorithms in a modern quantum chemistry program package"
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z.ast; single point energies have been calculated by the QjChem 3.2 program package "Advances in methods and algorithms in a modern quantum chemistry program package": Y. Shao, L.; et al. Phys. Chem. Chem. Phys. 2006, 8, 3172.
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Shao, Y.L.1
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77950417434
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Similar H-bonded structures with alcohols and amines has been investigated computationally, see the following
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(a) Similar H-bonded structures with alcohols and amines has been investigated computationally, see the following: De Sarkar, S.; Grimme, S.; Studer, A. J. Am. Chem. Soc. 2010, 132, 1190-1191.
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De Sarkar, S.1
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0037090999
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Similar H-bonded structure between diphenylamine and an imidazole-2-ylidene has been characterized by x-ray crystallography, see the following.
-
(b) Similar H-bonded structure between diphenylamine and an imidazole-2-ylidene has been characterized by x-ray crystallography, see the following.: Cowan, J. A.; Clyburne, J. A. C.; Davidson, M. G.; Harris, R L. W.; Howard, J. A. K.; Kupper, P.; Leech, M. A; Richards, S. P. Angew. Chem., Int. Ed. 2002, 41, 1432.
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57
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34247543841
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Similar insertion with comparable barrier has been suggested in case of the reaction of a cyclic alkyl amino carbene and ammonia, see the following
-
Similar insertion with comparable barrier has been suggested in case of the reaction of a cyclic (alkyl) (amino) carbene and ammonia, see the following: Frey, G. D.; Lavallo, V.; Donnadieu, B.; Schoeller, W. W.; Bertrand, G. Science 2007, 316, 439.
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Frey, G.D.1
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58
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79851476259
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-1 barrier is likely to proceed via a bimolecular process and with a small barrier. For more information, also see Supporting Information
-
-1 barrier is likely to proceed via a bimolecular process and with a small barrier. For more information, also see Supporting Information.
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59
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79851483614
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-1 energy benefits, in better agreement with the experiments. We also note that there are many possible isomeric structures of both 8b and 3b; those in the schemes are the most stable ones
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-1 energy benefits, in better agreement with the experiments. We also note that there are many possible isomeric structures of both 8b and 3b; those in the schemes are the most stable ones.
-
-
-
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60
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79851494284
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-1, in better agreement with the experiments
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-1, in better agreement with the experiments.
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61
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79851471709
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w3
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w3.
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64
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79851479298
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We have applied several different starting geometries as well as initial optimizations with different fixed C2 carbon-hydroxide oxygen distances, and reduced step sizes to locate this minimum
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We have applied several different starting geometries as well as initial optimizations with different fixed C2 carbon-hydroxide oxygen distances, and reduced step sizes to locate this minimum.
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65
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31344453757
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Gans-Eichler, T.; Gudat, D.; Nättinen, K.; Nieger, M. Chem.-Eur. I. 2006. 12, 1162.
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0003414262
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For a reference to the chemical shift of water in different NMR solvents, see the following:, 11th ed.; Merck Co., Inc.: Rahway, NJ
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For a reference to the chemical shift of water in different NMR solvents, see the following: Budavari, S.; O'Neil, M. J.; Smith, A; Heckelman, P. E. The Merck Index, An Encyclopedia of Chemicals, Drugs, and Biologicals, 11th ed.; Merck Co., Inc.: Rahway, NJ, 1989.
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Budavari, S.1
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A stable derivative has recently been isolated
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A stable derivative has recently been isolated: Aldeco-Perez, E.; Rosenthal, A. J.; Donnadieu, B.; Parameswaran, P.; Frenking, G.; Bertrand, G. Science 2009, 326, 556.
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z.ast; scaling factor of 0.9679 was suggested: Andersson, M. P.; Uvdal, P. J. Phys. Chem. A 2005, 109, 2937-2941.
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