《Triazolium-Based Ionic Liquids: A Novel Class of Cellulose Solvents》 was written by Brehm, Martin; Pulst, Martin; Kressler, Joerg; Sebastiani, Daniel. Safety of 1H-1,2,3-TriazoleThis research focused ontriazolium ionic liquid cellulose solvent solubility synthesis MD simulation. The article conveys some information:
We present first results on triazolium-based ionic liquids (ILs) as a novel class of nonderivatizing solvents for cellulose. Despite their chem. similarity to imidazolium cations, the 1,2,3-triazolium cation lacks the isolated ring proton, leading to reduced formation of N-heterocyclic carbenes (NHCs) and therefore to lower reactivity and less unwanted side reactions. We synthesized six ILs based on 1,2,3-triazolium and 1,2,4-triazolium cations. The acetates are room-temperature ionic liquids and dissolve a similar amount of cellulose as the corresponding imidazolium salt. From NMR spectroscopy of the solution, we rule out polymer degradation The cellulose solubility rises with increasing anion basicity, while being almost independent of the cation. We perform mol. dynamics simulations and compute enthalpies of solvation, which quant. fit the exptl. solubilities. Trajectory anal. reveals strong hydrogen bonds between acetate anions and cellulose hydroxyl groups, while the cations do not form strong hydrogen bonds with cellulose. Thus, the simulations provide an atomistic explanation of our exptl. observations. In the experiment, the researchers used 1H-1,2,3-Triazole(cas: 288-36-8Safety of 1H-1,2,3-Triazole)
1H-1,2,3-Triazole(cas: 288-36-8) belongs to triazoles. Triazoles are an important group of nitrogen-containing five-membered heterocyclic scaffolds. Triazoles are core structures of several drugs and pharmaceutical agents. Triazole derivatives possess antimicrobial, antiparasitic, antidiabetic, analgesic, and anti-inflammatory properties Safety of 1H-1,2,3-Triazole
Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics