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2 (c = 1-65 mM) reveal that the NH protons adjacent to the ferrocene moiety (NH1 and NH2) engage in intramolecular hydrogen bonds (weak concentration-dependent chemical shift), whereas the remote NH groups (NH3 and NH4) form hydrogen bonds only at higher concentrations (stronger concentration-depend-ent chemical shift) indicating intermolecular interactions. In the NOESY spectrum, a cross peak between. NH1 and NH2 is observed. These data are consistent with the DFT and X-ray results. For details see Supporting Information.
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2 (c = 1-65 mM) reveal that the NH protons adjacent to the ferrocene moiety (NH1 and NH2) engage in intramolecular hydrogen bonds (weak concentration-dependent chemical shift), whereas the remote NH groups (NH3 and NH4) form hydrogen bonds only at higher concentrations (stronger concentration-depend-ent chemical shift) indicating intermolecular interactions. In the NOESY spectrum, a cross peak between. NH1 and NH2 is observed. These data are consistent with the DFT and X-ray results. For details see Supporting Information.
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° indicating substantial flexibility in this part of the molecule. The basic structural hydrogen-bonding motifs with two intra- and two intermolecular hydrogen bonds NH⋯O are identical, which suggests a stable conserved motif in this part of the molecule. In all cases the intramolecularN1H⋯05S1 hydrogen bond (N1⋯05 3.18-3.30 Å) is longethan the intramolecular N2H⋯O2C13 hydrogen bond (N2⋯O2 2.73-2.84 Å;). For details see Supporting Information.
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2 is too low to oxidize the dimethylamino group of the DN moiety under our conditions (electrochemical experiments, UV/Vis spectroscopic control, see Supporting Information).
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2 is too low to oxidize the dimethylamino group of the DN moiety under our conditions (electrochemical experiments, UV/Vis spectroscopic control, see Supporting Information).
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