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Molecular chains of coordinated dimolybdenum isonicotinate paddlewheel clusters

机译:配位二钼异烟酸酯叶轮簇的分子链

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A growing focus on the use of coordination polymers for active device applications motivates the search for candidate materials with integrated and optimized charge transport modes. We show herein the synthesis of a linear coordination polymer comprised of Mo _(2) (INA) _(4) (INA = isonicotinate) metal–organic clusters. Single-crystal X-ray structure determination shows that this cluster crystallizes into one-dimensional molecular chains, whose INA-linked Mo _(2) cores engage in alternate axial and equatorial binding motifs along the chain axis. Electron paramagnetic resonance spectra, absorption spectra, and density functional theory calculations show that the aforementioned linear coordination environment significantly modifies the electronic structure of the clusters. This work expands the synthetic foundation for assembly of coordination polymers with tailorable dimensionalities and charge transport properties.
机译:对配位聚合物在有源器件应用中的使用的日益关注,促使人们寻求具有集成和优化电荷传输模式的候选材料。我们在这里显示了由Mo _(2)(INA)_(4)(INA =异烟酸酯)金属-有机簇组成的线性配位聚合物的合成。单晶X射线结构测定表明,该簇结晶为一维分子链,其INA连接的Mo_(2)核沿链轴参与交替的轴向和赤道结合图案。电子顺磁共振谱,吸收谱和密度泛函理论计算表明,上述线性配位环境显着改变了团簇的电子结构。这项工作为具有可调整尺寸和电荷传输性能的配位聚合物组装提供了合成基础。

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