Thum, Andreas published the artcileSolvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide-glyme systems: coordination in MD simulations with scaled charges, Recommanded Product: 2,5,8,11,14-Pentaoxapentadecane, the main research area is solvate ionic liquid lithium trifluoromethanesulfonylimide triglyme tetraglyme complexation MD.
Equimolar mixtures of lithium bis(trifluoromethanesulfonyl)imide (Li[NTf2]) with triglyme or tetraglyme (small oligoethers) are regarded as a new class of ionic liquids, the so-called solvate ionic liquids In these mixtures, the glyme mols. wrap around the lithium ions forming crown-ether like [Li(glyme)1]+ complex cations. New mol. dynamics (MD) simulations suggest that the lithium-glyme coordination is stronger than that predicted in a former MD study, whereas lithium-NTf2 connections are weaker. The differences between the present and the previous study arise from different starting conditions. Both studies employed charges scaled by a factor of 0.8. As shown by the comparison of MD simulations with and without reduced charges to experiments, charge scaling is necessary in order to obtain data close to exptl. results.
Physical Chemistry Chemical Physics published new progress about Atomic charge. 143-24-8 belongs to class ethers-buliding-blocks, name is 2,5,8,11,14-Pentaoxapentadecane, and the molecular formula is C10H22O5, Recommanded Product: 2,5,8,11,14-Pentaoxapentadecane.
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem