Govorov, Dmitrii N. et al. published their research in Journal of Molecular Liquids in 2022 | CAS: 7447-41-8

Lithium chloride (cas: 7447-41-8) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: 7447-41-8

Quantum chemical calculations of formation enthalpies of cations and anions of ionic liquids was written by Govorov, Dmitrii N.;Dunaev, Anatoliy M.;Motalov, Vladimir B.;Kudin, Lev S.. And the article was included in Journal of Molecular Liquids in 2022.Recommanded Product: 7447-41-8 The following contents are mentioned in the article:

The development of advanced ionic-liquid-based applications requires accurate thermochem. data for both ionic liquids and their constituent ions. Herein, the formation enthalpies of alkylimidazolium cations ([CnMIm+], n = 2, 4, 6, 8, 10) and various anions (trifluoromethanesulfonate ([TfO–]), Et sulfate ([ES–]), dicyanamide ([DCA–]), and bis(trifluoromethane)sulfonylimide ([NTf2–])) in the ideal gas state were obtained by quantum chem. calculations using d. functional theory (DFT: B3LYP, B98, M06, M06-2X) and composite (G4) thermochem. models in the framework of the isodesmic reaction approach. The enthalpies of heterolytic dissociation of neutral ion pairs (NIPs) for the [CnMIm+][X–] series (n = 2, 4, 6, 8, 10; X- = [TfO–], [ES–], [NTf2–], [DCA–], [BF4–], [PF6–], [Cl–], [Br–], [I–]) were derived using the obtained data and literature formation enthalpies (ΔfH°) of NIPs. Anal. of the thermochem. property trends revealed that the formation enthalpies of [CnMIm+] decrease linearly as the alkyl chain length increases. In addition, the use of the isodesmic reaction approach improved the reliability of the computed data. Furthermore, owing to its internal self-consistency, the G4 method was found to be the most appropriate for describing the thermodn. quantities of the cations and anions of ionic liquids This study involved multiple reactions and reactants, such as Lithium chloride (cas: 7447-41-8Recommanded Product: 7447-41-8).

Lithium chloride (cas: 7447-41-8) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: 7447-41-8

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics