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A novel family of water-soluble, polyoxocationic titanium-oxide host–guest clusters are reported herein. They exhibit an unprecedented hexagonal prismatic core structure for hosting univalent cationic guests like K +, Rb +, Cs + and H 3 O + . Guest exchange has been studied using 133 Cs NMR, showing the flexible pore of a host permits passage of a comparatively larger cation and giving an equilibrium constant of ca. 13 for displacing Rb + by Cs + . Attractive ion-dipole interaction, depending on host–guest size complementarity, plays a dominant role for the preferential encapsulation of larger alkali-metal cationic guests.
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Zhang et al. (2017) studied this question.
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