论文标题
超分子四面体笼的水溶液中的一个孤立水滴
An Isolated Water Droplet in the Aqueous Solution of a Supramolecular Tetrahedral Cage
论文作者
论文摘要
在环境条件下的纳米量下的水已经表现出低维冰的形成和液固相变的，但具有结构性和动态特征，这些特征映射到已知的水域相图。使用THZ的吸收光谱和从头算分子动力学，我们研究了限制在超分子四面体组件中的环境水，并确定宿主纳米腔内存在9-10个水分子的独特网络。 $ ga_4 $$ l_6 $$^{ - 12} $主机中水的低频吸收光谱和理论分析表明，封装的液滴的结构和动力学与任何已知的水阶段不同。另一个推断是，高度不寻常的封装水滴的释放为客人在水溶液中的高亲和力结合而产生了强大的热力学驱动因素，用于$ ga_4 $$ l_6 $$ l_6 $$^{ - 12} $ supromecular sonstruct。
Water under nanoconfinement at ambient conditions has exhibited low-dimensional ice formation and liquid-solid phase transitions, but with structural and dynamical signatures which map onto known regions of waters phase diagram. Using THz absorption spectroscopy and ab initio molecular dynamics, we have investigated the ambient water confined in a supramolecular tetrahedral assembly, and determined that a distinct network of 9-10 water molecules is present within the nanocavity of the host. The low-frequency absorption spectrum and theoretical analysis of the water in the $Ga_4$$L_6$$^{-12}$ host demonstrate that the structure and dynamics of the encapsulated droplet is distinct from any known phase of water. A further inference is that the release of the highly unusual encapsulated water droplet creates a strong thermodynamic driver for the high affinity binding of guests in aqueous solution for the $Ga_4$$L_6$$^{-12}$ supramolecular construct.
