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By A.R. Katritzky, A.J. Boulton and J.M. Lagowski (Eds.)

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9, 837 (1955). 154s 156 W. K. Busfield, K. J. Ivin, H. Mackle, and P. A. G . Faraday Soc. 57, 1064 (1961). 157S. C. Abrahams, Quart. Rev. (London)10, 407 (1956). R. Katritzky and A. P. Ambler, in “Physical Methods in Heterocyclic Chemistry” (A. R. ), p. 161, Vol. 11. Academic Press, New York, 1963. 158 A. Sec. 1 ELECTRONIC STRUCTURE OF SULFUR COMPOUNDS 43 transitions ; satisfactory results were obtained only upon application of the method of limited configuration interaction. This method, however, has only been applied to a few sulfur compounds : t h i ~ p h e n e , ~ ~ dithiiq41 and thioacetamide.

Scad. 17, 678 (1963). 148 B. Pullman and A. ” University of Paris, Paris, 144 145 M. 1960. 149R. 150 Zahradnik, D. VlachovB, and J. Kouteck9, CoUection Czech. Chem. Commun. 27,2336 (1962). H. Hosoya, J. Tanaka, and S. Nagakura, BuU. Chem. Japan 33, 850 (1960). Smith, L. L. , and W. N. Lipscomb,J . Am. Chem. 85, 846 (1963). 162 H. P. Koch and W. Moffitt, Tram. Furaday SOC. 47,7 (1961). 153 W. Moffitt, Proc. Rgy. SOC. (London)200A,409 (1950). 151 T. Jordan, H. W. 42 R. ZAHRADN~K [Sec. 111. H. THERMOCHEMISTRY, GEOMETRICAL STRUCTURE, AND INFRARED SPECTRA Studies belonging in this section are mentioned only very briefly since none of them includes a quantum-chemical treatment ;they are of indirect importance for such a treatment, however.

Le rr-electron density, and the high energy of the highest occupied 7 ~ molecular orbital (high oxidizability) in the few models of analogues of compound 8 examined theoretically" (97-101) indicate that all (97) (98) (99) (100) (101) these compounds will be quite unstable and difficult to prepare. The most relatively promising synthesis appears to be that of the vinylogue of the 1,2-dithiolium anion (98). r-electronicenergy, it can not be used for the calcuIation of n-electron densities as it leads to values of qs > 2.

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