The
conformation of the pentose ring in nucleotides is extremely
important and a basic problem in biochemistry and pharmaceutical chemistry.
In this study, we used a strategy to regulate the conformation of
pentose rings of nucleotides via the synergistic effect of metal-ion
coordination and π–π stacking. Seven types of coordination
complexes were developed and characterized using Fourier transform
infrared spectroscopy, elemental analysis, thermogravimetric analysis,
powder X-ray diffraction, ultraviolet–visible spectroscopy, 1H nuclear magnetic resonance spectroscopy, electrospray ionization
mass spectrometry, and single-crystal X-ray diffraction. On the basis
of two conformational parameters obtained from single-crystal structure
analysis, i.e., the pseudorotation phase angle and degree of puckering,
the exact conformation of the furanose ring in these coordination
polymers was unequivocally determined. Crystallographic studies demonstrate
that a short bridging ligand (4,4′-bipyridine) is conducive
to the formation of a twist form, and long auxiliary ligands [1,2-bis(4-pyridyl)ethene
and 4,4′-azopyridine] induce the formation of an envelope conformation.
However, the longest auxiliary ligands [1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene]
cannot limit the flexibility of a nucleotide. Our results demonstrated
that the proposed strategy is universal and controllable. Moreover,
the chirality of these coordination polymers was examined by combining
the explanation of their crystal structures with solid-state circular
dichroism spectroscopy measurements.