So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Eisenhart, Andrew E.; Beck, Thomas L. researched the compound: 4-(Hydroxymethyl)-1,3-dioxolan-2-one( cas:931-40-8 ).HPLC of Formula: 931-40-8.They published the article 《Quantum Simulations of Hydrogen Bonding Effects in Glycerol Carbonate Electrolyte Solutions》 about this compound( cas:931-40-8 ) in Journal of Physical Chemistry B. Keywords: mol dynamics simulation hydrogen bonding glycerol carbonate electrolyte solution. We’ll tell you more about this compound (cas:931-40-8).
The need for environmentally friendly nonaqueous solvents in electrochem. and other fields has motivated recent research into the mol.-level solvation structure, thermodn., and dynamics of candidate organic liquids In this paper, we present the results of quantum d. functional theory simulations of glycerol carbonate (GC), a mol. that has been proposed as a solvent for green industrial chem., nonaqueous alternatives for biocatalytic reactions, and liquid media in energy storage devices. We investigate the structure and dynamics of both the pure GC liquid and electrolyte solutions containing KF and KCl ion pairs. These simulations reveal the importance of hydrogen bonding that controls the structural and dynamic behavior of the pure liquid and ion association in the electrolyte solutions The results illustrate the difficulties associated with classical modeling of complex organic solvents. The simulations lead to a better understanding of the underlying mechanisms behind the previously observed peculiar ion-specific behavior in GC electrolyte solutions
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