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Nitrogen NMR of some sulphur diimide anions and calculated (GIAO) nitrogen shielding constants

✍ Scribed by Bernd Wrackmeyer; Silke Gerstmann; Max Herberhold; Graham A. Webb; Hiromichi Kurosu

Publisher: John Wiley and Sons
Year: 1994
Tongue: English
Weight: 348 KB
Volume: 32
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1260320811

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✦ Synopsis

Abstract

Sulphur diimide anions of the type [NSN]^2−^ (1), [RNSN]^−^ (1), [R = ^t^Bu (3), SiMe~3~ (4), ^t^Bu~2~P (5)] were prepared with the counter ions [^n^Bu~4~N]^+^ or [(Me~2~N)~3~S]^+^ (for 1, 3, 4) and K^+^ (for 5) and studied in solution by ^14^N NMR, and for assignment purposes by ^15^N NMR (4). The experimentally determined ^14^N chemical shifts (δN) were compared with nitrogen shielding constants calculated by the gauge included atomic orbitals (GIAO) technique, and a linear relationship between σ~N(calc)~ and δN was obtained. This correlation serves to support the Z configuration of the anions [RNSN]^−^, analogous to the isoelectronic N‐sulphinylamines. On this basis, two ^14^N resonance signals reported in the literature with uncertain assignment can be attributed to [HNSN]^−^ (2), and the previously assigned δN values suggest that the anion [HNSNS]^−^ (6) adopts the Z/E configuration.

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