-
1
-
-
0003397099
-
-
Wiley-Interscience, New York
-
A. W. Johnson, W. C. Kaska, K. A. O. Starzewski and D. A. Dixon, Ylides and Imines of Phosphorus, Wiley-Interscience, New York, 1993
-
(1993)
Ylides and Imines of Phosphorus
-
-
Johnson, A.W.1
Kaska, W.C.2
Starzewski, K.A.O.3
Dixon, D.A.4
-
11
-
-
0013167416
-
Hypervalent iodine chemistry
-
ed., T. Wirth, Springer, Berlin
-
Hypervalent Iodine Chemistry, in Topics of Current Chemistry, ed., T. Wirth, Springer, Berlin, 2003, p. 224
-
(2003)
Topics of Current Chemistry
-
-
-
13
-
-
0003101739
-
-
ed., K.-y. Akiba, Wiley-VCH, New York
-
M. Ochiai, Chemistry of Hypervalent Compounds, ed., K.-y. Akiba, Wiley-VCH, New York, 1999, p. 359
-
(1999)
Chemistry of Hypervalent Compounds
, pp. 359
-
-
Ochiai, M.1
-
38
-
-
35848956561
-
-
M. Ochiai T. Kaneaki N. Tada K. Miyamoto H. Chuman M. Shiro S. Hayashi W. Nakanishi J. Am. Chem. Soc. 2007 129 12938
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 12938
-
-
Ochiai, M.1
Kaneaki, T.2
Tada, N.3
Miyamoto, K.4
Chuman, H.5
Shiro, M.6
Hayashi, S.7
Nakanishi, W.8
-
41
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75149165942
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note
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3) was optimized at the MP2 level employing the 6-311+G(3d) basis sets for N, S and Br and the 6-311+G(2d,p) basis sets for other nuclei: the results are Br1-N1 1.853 , Br1-C1 1.905 , C1-Br1-N1 103.97°, C1-Br1-N1-S1 87.49°, Br1-N1-S1-C8 85.55°. Calculations are also performed for the reactions and the structures at the MP2 level with the 6-311+G(d) basis sets for N, S and Br and the 6-31G(d,p) basis sets for other nuclei. The DGDZVP basis sets of Gaussian program package are employed for I, if necessary. The optimized structures are confirmed through the frequency analysis in this case. The results for the monomer given in Fig. 4 are very close to those obtained with the higher basis sets shown above
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-
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45
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33846788241
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-
Gaussian, Inc., Wallingford, CT
-
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 and J. A. Pople, GAUSSIAN 03 (Revision D.02), Gaussian, Inc., Wallingford, CT, 2004
-
(2004)
GAUSSIAN 03 (Revision D.02)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
52
-
-
75149127111
-
-
note
-
2, 23.35. See ref. 20
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-
-
53
-
-
37049095037
-
-
For a substrate-directed Hofmann type rearrangement of an arenesulfonamide, see:
-
For a substrate-directed Hofmann type rearrangement of an arenesulfonamide, see: D. Mansuy J.-P. Mahy A. Dureault G. Bedi P. Battioni J. Chem. Soc., Chem. Commun. 1984 1161
-
(1984)
J. Chem. Soc., Chem. Commun.
, pp. 1161
-
-
Mansuy, D.1
Mahy, J.-P.2
Dureault, A.3
Bedi, G.4
Battioni, P.5
-
88
-
-
37049087618
-
-
C. J. Carmalt J. G. Crossley J. G. Knight P. Lightfoot A. Martin M. P. Muldowney N. C. Norman A. G. Orpen J. Chem. Soc., Chem. Commun. 1994 2367
-
(1994)
J. Chem. Soc., Chem. Commun.
, pp. 2367
-
-
Carmalt, C.J.1
Crossley, J.G.2
Knight, J.G.3
Lightfoot, P.4
Martin, A.5
Muldowney, M.P.6
Norman, N.C.7
Orpen, A.G.8
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