Interpretation of hydrogen bonding formation through thermodynamic, spectroscopic and DFT studies between isoamyl alcohol and benzyl alcohol at T = (293.15 to 318.15) K

Abstract

The density (ρ) and viscosity (η) data for the binary system of isoamyl alcohol (IAA) and benzyl alcohol (BA) were measured in the whole mole fraction at T = (293.15 to 318.15) K with the step of 5 K under atmospheric pressure. Excess molar volume (VmE), apparent molar volumes (Vm,∅, 1 and Vm,∅, 2), partial molar volumes (V¯m,1 and V¯m,2), excess partial molar volumes (V¯m,1E and V¯m,2E)and also viscosity deviation (∆η) were calculated by using the experimental values of density and viscosity of binary mixtures in the all above mentioned temperatures. The VmE and ∆η properties were fitted with the Redlich-Kister (R-K) equation. Excess molar volumes for the studied binary mixtures have a negative deviation from the ideal behavior over the entire mole fraction range. The effect of the temperature on the excess molar volumes and viscosity deviations are discussed and analyzed. Further, 1H NMR and FT-IR spectra and density functional theory (DFT) confirmed that there were intermolecular H-bonding interactions between IAA and BA in the binary mixture as (IAA)-O-H⋯⋯O-(BA) and (BA)-O-H⋯⋯O-(IAA).