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0009442564
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(Eds.) F. Bernardi, I. G. Csizmadia and A. Mangini Elsevier, Amsterdam
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S. Oae: in Organic Sulfur Chemistry, (Eds.) F. Bernardi, I. G. Csizmadia and A. Mangini (Elsevier, Amsterdam, 1985), pp. 29.
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6
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0004204928
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P. Page, ed., Organosulfur Chemistry, Vol. 2, Synthetic and Stereochemical Aspects (Academic Press, San Diego, 1998).
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Organosulfur Chemistry, Vol. 2, Synthetic and Stereochemical Aspects
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Page, P.1
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7
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0003614279
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Academic Press, London, Chap. 7
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For a theoretical understanding of the atomic inversion process as a large amplitude motion, see D. G. Lister, J. N. Macdonald and N. L. Owen: Internal Rotation and Inversion (Academic Press, London, 1978), Chap. 7.
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Internal Rotation and Inversion
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Lister, D.G.1
Macdonald, J.N.2
Owen, N.L.3
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8
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0009314802
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(Eds.) H. Ohtaki and H. Yamatera Elsevier, Amsterdam
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M. Ōki: Structure and Dynamics of Solutions, (Eds.) H. Ohtaki and H. Yamatera (Elsevier, Amsterdam, 1992), pp. 279.
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Oki, M.1
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17
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21144456444
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note
-
For example, the coalescence method and the band width analysis are known as simplified techniques to obtain rate constants. The former gives an approximate value of the rate constants only at the coalescence temperature.
-
-
-
-
18
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-
21144455099
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-
note
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Computer programs for the simulation of lineshape changes are available from QCPE, Indiana University, Bloomington. For example, DNMR3 (QCPE #165) by D. Kleier and G. Binsch, and DNMR5 (QCPE #365) by D. S. Stephenson and G. Binsch.
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-
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23
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21144440469
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Ref. 10, Chap. 4
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Ref. 10, Chap. 4.
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-
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28
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0001220491
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CNDO/2 123
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(a) A. Rauk, J. D. Andose, W. G. Frick, R. Tang and K. Mislow: J. Am. Chem. Soc. 93 6507 (1971) [CNDO/2 123].
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Rauk, A.1
Andose, J.D.2
Frick, W.G.3
Tang, R.4
Mislow, K.5
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31
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33947597836
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SCF 136, CEPA 133
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(d) P. Botschwina, A. Zilch, H. -J. Werner, P. Rosmus and E. -A. Reinsch: J. Chem. Phys. 85 5107 (1986) [SCF 136, CEPA 133].
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Botschwina, P.1
Zilch, A.2
Werner, H.-J.3
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32
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33846576141
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(e) S. Rozak, K. Strasburger and H. Chojnacki: J. Mol. Struct. 227 187 (1991) [3-21G 82, 6-31G 77, 6-31G* 129, 6-31G**+2d 135, MP2/6-31G* 133]. Values in brackets are inversion barriers in kJ/mol determined with the calculated methods.
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Rozak, S.1
Strasburger, K.2
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33
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34250876525
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(a) H. Fueno, S. Ikuta, H. Matsuyama and N. Kamigata: J. Chem. Soc., Perkin Trans. 2 1992 1925.
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J. Chem. Soc., Perkin Trans. 2
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Fueno, H.1
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Kamigata, N.4
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35
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21144451554
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note
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The Gaussian 98 program is commercially available from Gaussian, Inc.
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-
-
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37
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0001510404
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R. F. Bader, J. R. Cheeseman, K. E. Laidig, K. B. Wiberg and C. Breneman: J. Am. Chem. Soc. 112 6530 (1990).
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40
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0000535568
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Y. Yamamoto, X. Chen, S. Kojima, K. Ohdoi, M. Kitano, Y. Doi and K.-y. Akiba: J. Am. Chem. Soc. 117 3922 (1995).
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Kitano, M.5
Doi, Y.6
Akiba, K.-Y.7
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41
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21144439204
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Unpublished results
-
2v) structures are 135 and 945 kJ/mol, respectively, above that of the pyramidal structure at the initial state at the HF/6-31G* level.
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-
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Toyota, S.1
Sakaue, T.2
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43
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0004018410
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VCH, Cambridge
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T(30) are often used as a scale of solvent polarity. Gutman's donor number (DN) is a scale of solvent donicity. The details of these solvent parameters are described in C. Reichardt: Solvents and Solvent Effects in Organic Chemistry, 2nd ed. (VCH, Cambridge, 1988).
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Solvents and Solvent Effects in Organic Chemistry, 2nd Ed.
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0001232687
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P. Bickart, F. W. Carson, J. Jacobus, E. G. Miller and K. Mislow: J. Am. Chem. Soc. 90 4869 (1968).
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0001453931
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E. W. Abel, D. E. Budgen, I. Moss, K. G. Orrell and V. Sik: J. Organomet. Chem. 362 105 (1989).
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64
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50749135366
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J. R. Ascenso, M. de Deus Carvalho, A. R. Dias, C. C. Romão, M. J. Calhorda and L. F. Veiros: J. Organomet. Chem. 470 147 (1994).
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Ascenso, J.R.1
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Veiros, L.F.6
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