Exploring the Co-Crystallization Landscape of One-Dimensional Coordination Polymers Using a Molecular Electrostatic Potential-Driven Approach
CRYSTAL GROWTH & DESIGN(2023)
摘要
The ability of coordination polymers (CPs) to form multicomponent heteromeric materials, where the key structural features of the parent CP are retained, has been explored via molecular electrostatic potential-driven co-crystallization technol-ogies. Thirteen co-formers presenting hydrogen-bond donors activated through a variety of electron-withdrawing functionalities were employed, and the extent of activation was evaluated using molecular electrostatic potential values. Attempted co-crystalliza-tions of the seven most promising co-formers with a family of nine CPs ([CdX'(2)(X-pz)(2)](n); X' = I, Br, and Cl; X = I, Br, and Cl) resulted in six successf u l outcomes; all four of the structurally characterized compounds displayed the intended hydrogen bond . The rationalization of the main structural features revealed that strict structural and electrostatic requirements were imposed on effective co-formers; only co-formers with highly activated hydrogen-bond donors, and with a 1,4-orientation of electron-withdraw i n g moieties bearing effective acceptor sites, were successfully implemented into the three-dimensional architectures composed of one-dimensional building units of CPs.
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