Abstract

New paramagnetic tin(IV) derivatives containing the radical-anion of 2,4,6,8-tetra-tert-butylphenoxazin-1-one redox-active ligand (phenox-imQ) are synthesized and studied by EPR spectroscopy. Complexes I–V are paramagnetic in the crystalline state and in solution. The geometry of the obtained paramagnetic species and spin density distribution in them are studied by the Density functional theory. Diamagnetic complex VI is synthesized from the phenox-imQ dianion, and its one-electron oxidation is studied. The molecular structure of complex VI · ТHF is determined by X-ray diffraction analysis (CIF file CCDC no. 2000962 (VI · ТHF)).

中文翻译：

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具有顺磁性配体的邻氨基苯并半醌型有机锡化合物的EPR光谱的特征

摘要

通过EPR光谱合成并研究了含有2,4,6,8-四叔丁基苯恶嗪-1-酮氧化还原活性配体（phenox-imQ）的阴离子的新型顺磁性锡（IV）衍生物。I – V络合物在晶体状态和溶液中都是顺磁性的。利用密度泛函理论研究了所得顺磁性物质的几何形状及其中的自旋密度分布。从苯氧-imQ二价阴离子合成抗磁性复合物VI，并研究其单电子氧化。复杂的VI ·ТHF的分子结构通过X射线衍射分析确定（CIF文件CCDC No. 2000962（VI ·ТHF））。