Association in solutions of monoatomic alcohols and their mixtures with water

Abstract

The association of certain monoatomic aliphatic alcohols in tetrachloromethane and in wateralcohol mixtures was studied by spectroscopy (from 800 to 1100 nm), the self-modelling curve resolution (using the MILCA algorithm), and quantum chemistry. The decomposition of spectral curves was used to determine the number, composition, and stability of associates over a wide range of concentrations (from 0 to 100 wt %). The ranges of concentration were determined for the existence of homo- and heteromolecular associates of alcohols. Our conclusions based on chemometric method were confirmed by quantum chemical simulations of the particles that can exist in a solution, and the data on the structure of associates of monoatomic alcohols were supplemented.