Di Pietro Maria Enrica, Hammond Oliver, van den Bruinhorst Adriaan, Mannu Alberto, Padua Agilio, Mele Andrea, Costa Gomes Margarida
Department of Chemistry, Materials and Chemical Engineering 'G. Natta', Politecnico di Milano, Piazza L. da Vinci 32, 20133 Milano, Italy.
Phys Chem Chem Phys. 2021 Jan 6;23(1):107-111. doi: 10.1039/d0cp05843b.
The Deep Eutectic Solvents/Systems (DESs) choline chloride:urea (xChCl = 0.33) and choline chloride:glycolic acid (xChCl = 0.5) were investigated using viscosity-corrected 35Cl NMR spectroscopy and molecular dynamics simulations to probe the role of chloride as a function of water content. Three Cl- solvation regimes are revealed, with high-symmetry environments for pure and highly dilute DES, and an unusual low-symmetry interstitial region where the primary coordination sphere is most disordered.
采用粘度校正的³⁵Cl核磁共振光谱法和分子动力学模拟，对深共熔溶剂/体系（DESs）氯化胆碱:尿素（xChCl = 0.33）和氯化胆碱:乙醇酸（xChCl = 0.5）进行了研究，以探究氯离子作为水含量函数的作用。揭示了三种Cl⁻溶剂化状态，纯DES和高度稀释DES具有高对称环境，以及一个不寻常的低对称间隙区域，其中一级配位球最为无序。
