从K[ReMoS(CN)]固溶体到单个簇合物：[ReMoS(CN)]和[ReMoS(CN)]异金属簇的分离与研究。

Lappi Tatiana I, Gayfulin Yakov M, Renaud Adèle, Prestipino Carmelo, Lemoine Pierric, Yanshole Vadim V, Muravieva Viktoria K, Cordier Stéphane, Naumov Nikolai G

Nikolaev Institute of Inorganic Chemistry SB RAS, 3, Acad. Lavrentiev Ave., 630090 Novosibirsk, Russia.

UFR Sciences et Propriétés de la Matière, Université de Rennes, CNRS, Institut des Sciences Chimiques de Rennes (ISCR) UMR 6226, F-35000 Rennes, France.

Molecules. 2023 Aug 4;28(15):5875. doi: 10.3390/molecules28155875.

A series of new cluster compounds with {ReMoS} and {ReMoS} cores has been obtained and investigated. The clusters with different Re/Mo ratios were isolated as individual compounds, which made it possible to study their spectroscopic and electrochemical properties. The geometry of the new clusters was studied using a combination of X-ray diffraction analysis, XAS and quantum chemical DFT calculations. It was shown that the properties of the new clusters, such as the number and position of electrochemical transitions, electronic structure and change in geometry with a change in charge, are similar to the properties of clusters based on the {ReMoSe} and {ReMoSe} cores described earlier.

已获得并研究了一系列具有{ReMoS}和{ReMoS}核的新型簇合物。不同Re/Mo比例的簇合物被分离为单个化合物，这使得研究它们的光谱和电化学性质成为可能。结合X射线衍射分析、X射线吸收光谱（XAS）和量子化学密度泛函理论（DFT）计算对新型簇合物的几何结构进行了研究。结果表明，新型簇合物的性质，如电化学跃迁的数量和位置、电子结构以及电荷变化时几何结构的变化，与先前描述的基于{ReMoSe}和{ReMoSe}核的簇合物的性质相似。