Andrzej Kolinski Research Group

Coarse-grained protein modeling

Modeling Software & Servers

Biomolecules — dynamics & interactions

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Solvent versus substituent effects on the nitrogen NMR shielding of the nitro-group in substituted benzenes

Source:

Magnetic Resonance in Chemistry, John Wiley & Sons, Ltd., 31:916–919, 1993

Abstract

Intermolecular effects are shown to induce a variation of about 5 ppm in the nitrogen NMR shieldings of aromatic nitro groups. The latter turn out to be comparable to those exerted by substituents in nitrobenzene derivatives in solutions in a given solvent. Substituent effects on the NO2 nitrogen shielding in nitro benzenes, in a given solvent, seem to reflect contributions from the so-called field-inductive effects on the electron charge distribution in such systems, and are insensitive to the resonance effects concerned with the delocalized pπ-electron systems involved.