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Dispersion Makes a Difference – The Solid‐State Structure of Hg[N(SiMe3)2]2
European Journal of Inorganic Chemistry ( IF 2.3 ) Pub Date : 2018-01-29 , DOI: 10.1002/ejic.201701331
Jonas Bresien 1 , Christian Hering-Junghans 1 , Peter Kumm 2 , Axel Schulz 1, 3 , Max Thomas 1 , Alexander Villinger 1
Affiliation  

The solid‐state structure and Raman spectrum of Wannagat's mercurane, Hg[N(SiMe3)2]2 (1), are reported. Crystals were grown from the pure substance by slow cooling to –24 °C. Compound 1 crystallizes in the monoclinic space group P21/c as discrete monomers, which do not display intermolecular mercurophilic interactions. The molecular structure features a nearly linear N–Hg–N scaffold, while the (Me3Si)2N groups are in a staggered conformation with a dihedral angle of 58.3° (average) to each other. This can be attributed to intramolecular dispersion interactions according to DFT calculations.

中文翻译:

分散有所作为– Hg [N(SiMe3)2] 2的固态结构

报告了Wannagat硫醇Hg [N(SiMe 32 ] 21)的固态结构和拉曼光谱。通过缓慢冷却至–24°C,从纯物质中生长出晶体。化合物1在单斜空间群P 2 1 / c中以离散单体的形式结晶,这些单体不显示分子间的嗜汞相互作用。分子结构具有近乎线性的N–Hg–N支架,而(Me 3 Si)2N个基团呈交错构型,彼此的二面角为58.3°(平均)。这可以归因于根据DFT计算的分子内分散相互作用。
更新日期:2018-01-29
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