Structure of Magnesium Chloride Complexes in Ethereal Systems: Computational Comparison of THF and Glymes as Solvents for Magnesium Battery Electrolytes was written by Jankowski, Piotr;Lastra, Juan Maria Garcia;Vegge, Tejs. And the article was included in Batteries & Supercaps in 2020.Recommanded Product: 112-49-2 This article mentions the following:
The structure of the electrolyte is crucial for the performance of rechargeable magnesium batteries. Doubly charged cations interact much stronger with both anions and solvent mols., forming different size clusters. Here, we apply DFT calculations to investigate salt solvation by altering the first solvation shell of the magnesium-chloride complexes in different ethereal solvents: THF, monoglyme, diglyme, triglyme and tetraglyme. The anal. was performed by looking for the most stable structures, considering mono-, di- and trimeric clusters of MgxCly. The determination of clusters geometries, together with their energies, resulted in a comprehensive picture of the thermodynamically preferred state of the electrolyte, and allowed for a simple assessment of the electrochem. activity of the electrolyte. Our anal. shows that clustering is beneficial for desolvation of magnesium from the cluster, but causes overpotentials due to hindered electron transfer. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Recommanded Product: 112-49-2).
2,5,8,11-Tetraoxadodecane (cas: 112-49-2) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. Ethers feature bent C–O–C linkages. In dimethyl ether, the bond angle is 111° and C–O distances are 141 pm. The barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.Recommanded Product: 112-49-2
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem