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Sulfur-Nitrogen Compounds with 4-Coordinate Sulfur

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S Sulfur-Nitrogen Compounds Part 8

Part of the book series: Gmelin Handbook of Inorganic and Organometallic Chemistry - 8th edition ((2053,volume S / S-N / 8))

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Abstract

The compound has not been prepared to date. In analogy to related compounds, a weakly distorted C2v symmetry for the structure is assumed. Modified extended Hückel and CNDO/2 calculations were carried out. Agreeing with the polarity rule the conformation with the NH2 group in the axial position is more stable than that with NH2 in the equatorial position. The relative stability of the topomers F3S—NH2 (axial)/F3S—NH2 (equatorial) was calculated to be 60 kcal/mol by the extended Hückel method, or 9 kcal/mol by CNDO/2. The conformation proposed from molecular orbital calculations does not depend on the inclusion of the d atomic orbital of sulfur in the basis set.

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    Alfons Kubny

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Baumann, N., Fachmann, HJ., Heibel, B., Jotter, R., Ledüc, B., Kubny, A. (1991). Sulfur-Nitrogen Compounds with 4-Coordinate Sulfur. In: Baumann, N., Fachmann, HJ., Heibel, B., Jotter, R., Kubny, A. (eds) S Sulfur-Nitrogen Compounds Part 8. Gmelin Handbook of Inorganic and Organometallic Chemistry - 8th edition, vol S / S-N / 8. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-06363-7_2

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