《Quantum Chemical Modeling of the Adsorption of Crown Ethers of Different Structures on Surfaces of Lithium and Carbon》 was published in Russian Journal of Physical Chemistry A in 2020. These research results belong to Tulibaeva, G. Z.; Yarmolenko, O. V.; Shestakov, A. F.. Quality Control of 1,4,7,10,13-Pentaoxacyclopentadecane The article mentions the following:
Abstract: Theor. studies are performed of the adsorption of crown ethers of different structures (15-crown-5, dibenzo-18-crown-6 and 3-pentadecyl-2,4-dioxo-16-crown-5) on surfaces of lithium and carbon, the main anode materials in secondary lithium power sources. The energies of adsorption of these crown ethers and the bonding energies of lithium ions with crown ether in the free and adsorbed states are calculated using the PBE d. functional. It is shown that the mols. of 15-crown-5 and 3-pentadecyl-2,4-dioxo-16-crown-5 form flat structures, contributing to the stack folding of subsequent crown ether mols. There are steric hindrances for dibenzo-18-crown-6, since one of the benzene rings is oriented perpendicularly. It is found that 3-pentadecyl-2,4-dioxo-16-crown-5 promotes the transfer of lithium ion from the electrolyte volume to the surface of both lithium and carbon better than the other two crown ethers. In the experiment, the researchers used many compounds, for example, 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Quality Control of 1,4,7,10,13-Pentaoxacyclopentadecane)
1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Quality Control of 1,4,7,10,13-Pentaoxacyclopentadecane
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem