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Synthesis, Characterization, and Theoretical Studies of cis-Dichloridobis(8-quinolinethiolato)tin(IV) and bis(8-Sulfanylquinolinium) Hexachloridostannate(IV) Derivatives
Australian Journal of Chemistry ( IF 1.0 ) Pub Date : 2020-07-07 , DOI: 10.1071/ch19561
Rajesh Deka , Arup Sarkar , Harkesh B. Singh , Peter C. Junk , David R. Turner , Glen B. Deacon

The structural characterisation of bis(8-sulfanylquinolinium) hexachloridostannate(iv) (2) is reported and the variable reaction behaviour of this compound in different solvents has been explored. In particular, attempted recrystallization of 2 from chloroform and dichloromethane affords two polymorphs of cis-dichloridobis(8-quinolinethiolato)tin(iv), 3m and 3t, respectively. Attempted recrystallization of 2 from methanol gives crystals of 8,8′-dithiodiquinolinium hexachloridostannate(iv) 4. When 2 is dissolved in dimethyl sulfoxide in the presence of air, it undergoes oxidation to afford diquinolinyl-8,8′-disulfide 5. The molecular structures of the isolated compounds 24 are unambiguously authenticated by single crystal X-ray diffraction studies. The electronic structure properties of all the isolated compounds 24 are thoroughly studied by DFT calculations.



中文翻译:

顺二氯双(8-喹啉硫基)锡(IV)和双(8-硫烷基喹啉)六氯锡酸酯(IV)衍生物的合成,表征和理论研究

报道了双(8-硫烷基喹啉鎓)六氯锡酸酯(iv)的结构表征(2),并研究了该化合物在不同溶剂中的可变反应行为。特别地,尝试从氯仿和二氯甲烷中重结晶2分别得到顺式-二氯双(8-喹啉硫代)锡(iv),3m3t的两种多晶型物。尝试从甲醇中重结晶2得到8,8'-二硫代二喹啉六氯锡酸锡(iv4晶体。当2在空气存在下,将其溶于二甲基亚砜中,进行氧化,得到二喹啉基-8,8'-二硫化物5。分离的化合物的分子结构2 - 4被明确地通过单晶X射线衍射研究进行认证。所有的分离的化合物的电子结构性质2 - 4彻底通过DFT计算研究。

更新日期:2020-08-20
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