Pressure-Induced Coordination Number Transition in Lanthanide Mellitate Coordination Polymers: Structure and Spectroscopy,Inorganic Chemistry

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Pressure-Induced Coordination Number Transition in Lanthanide Mellitate Coordination Polymers: Structure and Spectroscopy
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-09-12 , DOI: 10.1021/acs.inorgchem.3c00933
Nicholas Beck ₁ , Daniela Gomez Martinez ₁ , Thomas E Albrecht-Schönzart ₂

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High external pressure is found to induce a non-coordinated water molecule to bond to cerium in a previously studied mellitate coordination polymer, as determined by high-pressure single-crystal X-ray diffraction, resulting in a coordination number transition at 3.85 GPa from 9 to 9.5 where half the cerium ions are 10-coordinate. Also, bond length changes due to increased pressure are experimentally measured, whereas the cerium–carboxylate bond lengths overall change by −0.004(9) Å/GPa, the cerium–water bonds by −0.016(3) Å/GPa, and cerium–oxygen bonds overall by −0.010(6) Å/GPa, which corresponds well with theoretical bond length decreases determined for similar compounds. The high-pressure absorbance spectra of the analogous neodymium mellitate are examined and compared with the structural changes observed.

中文翻译：

镧系苯三酸配位聚合物中压力诱导的配位数跃迁：结构和光谱

通过高压单晶 X 射线衍射确定，高外部压力会诱导非配位水分子与先前研究的苯六酸盐配位聚合物中的铈键合，导致配位数从 9 在 3.85 GPa 转变。到 9.5，其中一半的铈离子是 10 配位的。此外，通过实验测量了由于压力增加而导致的键长变化，而铈-羧酸盐键长总体变化为-0.004(9) Å/GPa，铈-水键变化为-0.016(3) Å/GPa，而铈-氧键整体降低了-0.010(6) Å/GPa，这与类似化合物测定的理论键长减少非常吻合。检查了类似的苯三酸钕的高压吸收光谱，并与观察到的结构变化进行了比较。

更新日期：2023-09-12

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