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Color figures are given in the Supporting Information.
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37049079312
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1/2, = 4 h. The high kinetic acidity is given, but not commented: V. K. Aggarwal, I. W. Davies, R. Franklin, J. Maddock, M. F. Mahon. K. C. Molloy, J. Chem. Soc. Perkin Trans. I 1994, 2363-2368.
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57
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0000116939
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a (hexane-1,3-dione) = 10.3 (in DMSO): E. M. Arnett, J. A. Harrelson Jr., J. Am. Chem. Soc. 1987, 109, 809-812.
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a (hexane-1,3-dione) = 10.3 (in DMSO): E. M. Arnett, J. A. Harrelson Jr., J. Am. Chem. Soc. 1987, 109, 809-812.
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33645525442
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see also
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53849145212
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In the calculated structure of carbanion 10-A the residue at C-2 is inclined to the plane formed by S1, C2 and S3 by 52.5°
-
In the calculated structure of carbanion 10-A the residue at C-2 is inclined to the plane formed by S1, C2 and S3 by 52.5°.
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63
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53849111805
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Details are given in the Supporting Information
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Details are given in the Supporting Information.
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64
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0343416210
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49849127610
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The conformation was elucidated through analysis of the C-H coupling constants; see also: a A. S. Perlin, B. Casu, Tetrahedron Lett. 1969, 10, 2921-2924;
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The conformation was elucidated through analysis of the C-H coupling constants; see also: a) A. S. Perlin, B. Casu, Tetrahedron Lett. 1969, 10, 2921-2924;
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71
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53849106363
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This is possible since dithiane-1,3-dioxide and the carbonyl forming the enolate have similar pKa values[29] allowing for a mjits-protonation
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[29] allowing for a mjits-protonation.
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73
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33645536234
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Z. Gültekin, H. Bayrak, W. U. Frey, Asian J. Chem. 2006, 18, 1474-1480.
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53849132966
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[35b]
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[35b]
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77
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53849101279
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-
The band shape analysis giving these values was performed with the DNMR3 program of G. Binsch and D. A. Kleier embedded in the program Spinworks 2.5.5, 1999-2006, Kirk Marat. University of Manitoba.
-
The band shape analysis giving these values was performed with the DNMR3 program of G. Binsch and D. A. Kleier embedded in the program Spinworks 2.5.5, 1999-2006, Kirk Marat. University of Manitoba.
-
-
-
-
78
-
-
53849115611
-
-
-1. These corrections were consequently not considered further.
-
-1. These corrections were consequently not considered further.
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79
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53849119396
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NBO Version 3.1. E. D. Glendening. A. E. Reed, J. E. Carpenter, F. Weinhold, Theoretical Chemistry' Institute, University of Wisconsin, Madison, WI, 2001
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NBO Version 3.1. E. D. Glendening. A. E. Reed, J. E. Carpenter, F. Weinhold, Theoretical Chemistry' Institute, University of Wisconsin, Madison, WI, 2001.
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Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
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94
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53849114904
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Gaussian 03, Revision C.02. M. J. Frisch. G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery. Jr, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao. H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth. P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich. A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari. J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin. D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanaya
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Gaussian 03, Revision C.02. M. J. Frisch. G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery. Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao. H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth. P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich. A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari. J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin. D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong. C. Gonzalez, J. A. Pople. Gaussian, Inc., Wallingford CT. 2004.
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