Ricci Maria Antonietta, Bruni Fabio, Giuliani Alessia
Dipartimento di Fisica E. Amaldi, Università degli Studi Roma Tre, via della Vasca Navale 84, 00147 Roma, Italy.
Faraday Discuss. 2009;141:347-58; discussion 443-65. doi: 10.1039/b805706k.
Neutron diffraction and deep inelastic neutron scattering experiments performed on bulk stable and supercooled water are compared with the same experiments performed on water confined in silica substrates. Similarities and differences between the two cases clearly show up, as far as both microscopic structure and single proton dynamics are concerned. In particular in both supercooled bulk water and water under confinement we observe a closer average distance between first neighboring oxygen sites and shortening of the H-bonds. In contrast the number of H-bonds per molecule and the number of interstitial water molecules are severely reduced under confinement, and the second peak of the oxygen-oxygen radial distribution function is shifted to shorter distances, compared to the bulk phase. Based on these results a possible scenario for understanding changes evidenced by deep inelastic neutron scattering when water is either confined or supercooled is proposed.
对大量稳定水和过冷水进行的中子衍射和深度非弹性中子散射实验,与在二氧化硅基质中受限水进行的相同实验进行了比较。就微观结构和单质子动力学而言,两种情况之间的异同清晰显现。特别是在过冷的大量水和受限水这两种情况下,我们都观察到第一近邻氧位点之间的平均距离更近,氢键缩短。相比之下,受限条件下每个分子的氢键数量和间隙水分子数量大幅减少,与体相相比,氧-氧径向分布函数的第二个峰移向更短的距离。基于这些结果,提出了一种可能的设想,用于理解当水受限或过冷时深度非弹性中子散射所证明的变化。