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Anisotropic effect of the nitrate anion-manifestation of diamagnetic proton chemical shifts in the 1H NMR spectra of NO3-coordinated complexes

  • The anisotropic effect of the planar nitrate anion NO3- has been ab initio calculated employing the Nucleus- Independent Chemical Shift (NICS) concept of von Ragué Schleyer and visualized as Iso-Chemical-Shielding Surfaces (ICSSs) of various (de)shieldings. Complexation-induced shifts in the 1H NMR spectra of nitrate/metal complexes or nitrate/receptor supramolecules can be separated now into anisotropic influences of the suitably coordinated nitrate anions and effects originating from differential sources.

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Author details:Erich KleinpeterORCiDGND, Andreas KochORCiDGND, Himansu S. Sahoo, Dillip Kumar Chand
URL:http://www.sciencedirect.com/science/article/pii/S0040402008005814
DOI:https://doi.org/10.1016/j.tet.2008.03.063
Publication type:Article
Language:English
Year of first publication:2008
Publication year:2008
Release date:2017/03/25
Source:Tetrahedron. - 64 (2008), 22, S. 5044 - 5050
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
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