Fig. 2: Template synthesis with ligands of different binding node. | Nature Communications

Fig. 2: Template synthesis with ligands of different binding node.

From: Enantiopure trigonal bipyramidal coordination cages templated by in situ self-organized D2h-symmetric anions

Fig. 2

a The preparation of cage 3 and 4, DFT optimized structures of 3 and 4 on B3LYP/genecp (6–31 G(d) for C, H, N, O, lanl2dz for Zn) level (color codes: C, gray; N, blue; O, red; Zn, yellow; H, omitted), and 1H NMR spectra (CD3CN, 400 M, 298 K) of 3 (green) and 4 (red). b ESI-MS spectrum of 4 with molecular peaks being labeled and compared with simulated peaks (downward ones). c Experimental and simulated isotopic patterns of 6+ charged molecular peak of 4.

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