Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN6 and CoN4S2 Coordination Spheres,European Journal of Inorganic Chemistry

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Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN6 and CoN4S2 Coordination Spheres
European Journal of Inorganic Chemistry ( IF 2.2 ) Pub Date : 2017-10-24 01:56:55 , DOI: 10.1002/ejic.201700955
Ghodrat Mahmoudi ₁ , Jan K. Zaręba ₂ , Atash V. Gurbanov _{3,

4} , Antonio Bauzá ₅ , Fedor I. Zubkov ₄ , Maciej Kubicki ₆ , Vladimir Stilinović ₇ , Vasyl Kinzhybalo ₈ , Antonio Frontera ₅

Affiliation

We explore the coordination chemistry of benzyl dihydrazone and thiosemicarbazone Schiff bases featuring different chelation modes, steric bulks, and reactivities towards Co(SCN)₂. Trends in the supramolecular arrangement are explored through Hirshfeld surface analysis and DFT calculations. The DFT results indicate that the H-bonded dimers in 5 are “antielectrostatic” H bonds.

中文翻译：

苄基二hydr与硫代半碳酸盐席夫碱：对硫氰酸钴络合物的超分子排列以及CoN6和CoN4S2配位球的产生的影响

我们探索了苄基二hydr和硫代半碳酸盐席夫碱的配位化学，其特征在于不同的螯合模式，空间体积和对Co（SCN）_2的反应性。通过Hirshfeld表面分析和DFT计算探索了超分子排列的趋势。在DFT结果表明，在H-连接的二聚体5是“抗静电” H键。

更新日期：2017-10-24

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