Hygroscopic Coordination Polymer as “model-substance” for water molecule study

The ability to isolate a single molecule of water offers the unique opportunity of studying its fundamental quantum behaviour. Water exists as two distinct nuclear-spin isomers, para- and ortho-water. Understanding the mechanism of conversion between these two types of water is an important area of research. Moreover, the coherent quantum rotation dynamics of isolated water molecules could be exploited for future quantum technologies. We have synthesised the coordination polymer [Cu(pz)2·H2O]n which enables an easy and reversible way of absorbing and separating individual water molecules within its structure. We propose to study the quantum rotations, molecular vibrations and para-ortho transitions using MARI spectrometer. This study will allow to investigate the study of water molecule vibrations and quantum rotations when not involved in hydrogen bonds.

分离单个水分子的能力为研究其基本量子行为提供了独特机遇。水以两种不同的核自旋异构体形式存在，即仲水（para-water）和正水（ortho-water）。理解这两种水之间的转化机制是一个重要的研究方向。此外，孤立水分子的相干量子旋转动力学有望应用于未来的量子技术。我们合成了配位聚合物[Cu(pz)₂·H₂O]ₙ，其结构可实现对单个水分子的简便、可逆吸附与分离。我们计划利用MARI谱仪研究其量子旋转、分子振动及仲-正水转化过程。这项研究将能够探究未参与氢键作用的水分子的振动及量子旋转特性。