A Theoretical Study on Terpene-Based Natural Deep Eutectic Solvent: Relationship between Viscosity and Hydrogen-Bonding Interactions.

ABSTRACT: The aim of this work is to shed light on the origins of unique properties by studying the relationship between viscosity and hydrogen-bonding interactions of terpene-based natural deep eutectic solvents (NADES). Five systems including camphor/formic acid, menthol/acetic acid, menthol/β-citronellol, menthol/lactic acid, and thymol/β-citronellol are prepared (molar ratio 1:1). Their structures and nature of the associated hydrogen bonds are investigated through multiple methods and theories. The viscosity of NADES is consistent with the product of hydrogen-bond number and lifetime. Through visualization of non-covalent interactions, terpene-acid-based NADES with single sites show the lowest viscosity among the studied systems because of weak and unstable hydrogen bonding. Inversely, multi-si

SUBMITTER: Fan C 

PROVIDER: S-EPMC7933815 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature