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Beilstein J. Org. Chem. 2015, 11, 2105–2116, doi:10.3762/bjoc.11.227
Graphical Abstract
Figure 1: The compounds used in this study and their atom numbering.
Figure 2: Possible conformations of 1.
Figure 3: Driving forces influencing association exemplified on two "extreme" conformations of 1∙∙∙benzoate.
Figure 4: Two possible, extreme multiple hydrogen bonded multimeric structures of 1 and VT 1H NMR spectra (fr...
Figure 5: The proposed structure explaining unusual behavior of the titration curve for 1∙∙∙9 titration and a...
Figure 6: Collective titration curves (H1/H7 and H3/H5 chemical shifts, CDCl3) for complex of 1 with substitu...
Figure 7: The signal labelling for [1]:[5] in 1:1 ratio exemplified on the spectra recorded at −40 °C (CDCl3)...
Figure 8: The variable temperature (+20 to −40 °C, CDCl3) dependence of the main signals (the highest integra...
Figure 9: The VT (+20 to −70 °C, CDCl3) 1H NMR stacked spectra (low temp. at bottom) for 1∙∙∙10 in 1:0.1 mola...
Figure 10: Two most probable forms of 1∙∙∙10 complex (in red) with "rotational-shift" path between them.