Abstract
A number of binary SN ring systems and heterocyclothiazenes have now been synthesized. The structure and properties of many of them appear to be well-characterized in terms of their π-electron systems. The occupancy of the π manifold can, however, be significantly different from their hydrocarbon analogues with profound implications for stability and reactivity. The further analysis of the π network in terms of fragments provides additional insight into formation and bonding. These features will be discussed in terms of the results of our “ab initio” Hartree-Fock-Slater calculations for orbital eigenvalues, overlap populations, charges, excitation energies and conformational energies for, among others, the systems S3N3 -, (H2P)S2N3, (H2P)2SN3 +, S4N2, S4N3 + and S4N4 2+.
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© 1986 D. Reidel Publishing Company, Dordrecht, Holland
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Laidlaw, W.G., Trsic, M. (1986). Binary SN Ring Systems and Related Heterocyclothiazenes. In: Smith, V.H., Schaefer, H.F., Morokuma, K. (eds) Applied Quantum Chemistry. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4746-7_18
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DOI: https://doi.org/10.1007/978-94-009-4746-7_18
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