Abstract
The technique of the so-called More O'Ferrall diagrams was modified by incorporating the framework of recently introduced topological theory of chemical reactivity. On the basis of this modification, a new simple criterion was introduced, allowing the unequivocal classification of the mechanisms of pericyclic reactions from the point of view of concertedness and/or nonconcertedness.
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References
R.B. Woodward and R. Hoffmann, Angew. Chem. 81 (1969)797.
J. Michl, in:Physical Chemistry, An Advanced Treatise, Vol. 7, ed. H. Eyring, D. Henderson and W. Jost (Academic Press, New York, 1970), p. 125.
R. Huisgen, H.J. Sturm and H. Wagenhofer, Z. Naturforch. 176 (1962)202.
J. Berson, Accounts Chem. Res. 5 (1972)406.
J.E. Baldwin, H.A. Andrist and R.K. Pinschmidt, Jr., Accounts Chem. Res. 5 (1972)402.
J.J. Gajewski, Accounts Chem. Res. 13 (1980)142.
B.M. Trost and M.L. Miller, J. Amer. Chem. Soc. 110 (1988)3678.
W.v.E. Doering, W.R. Roth, R. Breuckman, L. Figge, H. Lennarz, W.D. Fessner and H. Prinzbach, Chem. Ber. 121 (1988)1.
M.J.S. Dewar, A Amer. Chem. Soc. 106 (1984)209.
B. Van Mele and G. Huybrechts, Int. J. Chem. Kinetics 19 (1987)363.
J.P. Lowe, J. Chem. Educ. 51 (1974)785.
R.A. More O'Ferrall, J. Chem. Soc. (B) (1970)274.
L. Salem,Electrons in Chemical Reactions (Whey, 1982), ch. 2.
R. Ponec, Collect. Czech. Chem. Commun. 52 (1987)555.
R. Ponec, Z. Phys. Chem. (Leipzig) 268 (1987)1180.
R. Ponec and M. Strnad, Z. Phys. Chem. (Leupzig), in press.
R. Ponec, Collect. Czech. Chem. Commun. 50 (1985)1121.
R. Ponec, Collect. Czech. Chem. Commun. 49 (1984)455.
R. Ponce and M. Strnad, in:MATH/CHEM/COMP 1988, ed. A. Graovac, Studies in Physical and Theoretical Chemistry 63 (Elsevier, Amsterdam, 1989), p. 511.
Y. Tal, R.F.W. Bader, T.T. Nguyen-Dang, M. Ojha and S.G. Anderson, J. Chem. Phys. 74 (1981)5162.
P.G. Mezey, Theor. Chim. Acta 58 (1981)309.
M.J.S. Dewar and S. Kirschner, J. Amer. Chem. Soc. 96 (1974)5244.
F.O. Rice and E. Teller, J. Chem. Phys. 6 (1938)439.
M. Stmad, Ph.D. Dissertation, Institute of Chemical Process Fundamentals, Prague (1990).
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Ponec, R., Strnad, M. Topological aspects of chemical reactivity. J Math Chem 8, 103–112 (1991). https://doi.org/10.1007/BF01166927
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DOI: https://doi.org/10.1007/BF01166927