Exploring the Subsistence of Solvation Consequences of l‑Asparagine and l‑Glutamine Prevailing in Aqueous Ionic Liquid Solutions by Physicochemical and Computational Investigations

In order to comprehend the various properties of two amino acids (AAs), l-asparagine and l-glutamine, we have studied a number of physicochemical parameters, including density (ρ), absolute viscosity (η), refractive index (nD), conductivity (σ), and surface tension (γ) in the aqueous solution of an ionic liquid (IL), benzyl-tributyl ammonium chloride (BTBAC), in (0.001, 0.003, and 0.005) molalities and five temperatures of 293.15, 298.15, 303.15, 308.15, and 313.15 K at atmospheric pressure of 0.1 MPa. Limiting apparent molar volumes (Vφ0) derived from the Masson equation, coefficient of viscosity (B) from the Jones–Doles equation, and limiting molar refraction (RM0) from the Lorentz–Lorenz equation are applied to criticize the molecular interactions involving the AAs and the IL at different concentrations and temperatures. Transfer limiting apparent molar volume, Vφ0tr, has been calculated to determine the solute–solvent interaction in an aqueous medium. The thermodynamic parameters such as Δμ10⧧, Δμ20⧧, ΔS20⧧, and ΔH20⧧ also suggest that the intermolecular interaction in the ground state is more significant compared to that in the transition state of two ternary systems. The UV–vis and 1H nuclear magnetic resonance spectroscopy data also supported our experimental and theoretical observations. Optimization energy calculation obtained from the computational technique leads to the consequence of stability of the ternary system (IL + AA + H2O) at the molecular level