Conclusions
Ab initio quantum-chemical calculations transmit satisfactorily the conformational and electronic properties of cyclic esters of sulfurous acid, whereas calculations in the CNDO/2 approximation gives a satisfactory description of only the features of electronic structures of this class of compounds.
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Literature cited
H. Facher, A. C. Gumaraev, J. B. Robert, F. Sauriol, and M. St. Jacques, Tetrahedron,37, 689 (1981).
B. A. Arbuzov, E. N. Klimovitskii, V. V. Klochkov, I. V. Anonimova, and A. V. Aganov, Zh. Obshch. Khim.,53, 442 (1983).
B. A. Arbuzov, Bull. Soc. Chim. Fr.,27, 1311 (1960).
Yu. Yu. Samitov, Dokl. Akad. Nauk SSSR,164, 347 (1965).
R. S. Edmundson, Tetrahedron Lett., 1649 (1965).
H. F. Van Woerden and A. T. de Vries-Miedema, Tetrahedron Lett., 1687 (1971).
G. Wool, I. M. McIntosh, and M. Mislow, Tetrahedron Lett., 4895 (1970).
W. J. Orville-Thomas (ed.), Internal Rotation in Molecules, Wiley, New York (1974).
V. G. Dashevskii, Conformation of Organic Molecules [in Russian], Khimiya, Moscow (1974), p. 432.
V. I. Minkin, B. Ya. Simkin, and R. M. Minyaev, Theory of Molecular Structure [in Russian], Vysshaya Shkola, Moscow (1979), p. 407.
R. M. Minyaev and V. I. Minkin, Vopr. Stereokhim., No. 4, 3 (1974).
V. A. Naumov, N. M. Zaripov, and L. F. Shatrukov, Zh. Strukt. Khim.,11, 579 (1970).
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 10, pp. 2279–2283, October, 1984.
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Aganov, A.V., Aminova, R.M. & Arbuzov, B.A. Conformations and electronic structure of cyclic sulfites and quantum-chemical calculations,ab initio and in the CNDO/2 approximation. Russ Chem Bull 33, 2079–2083 (1984). https://doi.org/10.1007/BF00954086
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DOI: https://doi.org/10.1007/BF00954086