Structure and Dynamics of Low-Density and High-Density Liquid Water at High Pressure

被引:46
|
作者
Fanetti, Samuele [1 ]
Lapini, Andrea [1 ,2 ]
Pagliai, Marco [2 ]
Citroni, Margherita [1 ,2 ]
Di Donato, Mariangela [1 ,2 ]
Scandolo, Sandro [3 ]
Righini, Roberto [1 ,2 ]
Bini, Roberto [1 ,2 ]
机构
[1] LENS, European Lab Nonlinear Spect, I-50019 Florence, Italy
[2] Univ Florence, Dipartimento Chim Ugo Schiff, I-50019 Florence, Italy
[3] Abdus Salam Int Ctr Theoret Phys ICTP, I-34151 Trieste, Italy
来源
JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2014年 / 5卷 / 01期
关键词
SINGULARITY-FREE INTERPRETATION; INFRARED-SPECTROSCOPY; THERMODYNAMICS;
D O I
10.1021/jz402302z
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Liquid water has a primary role in ruling life on Earth in a wide temperature and pressure range as well as a plethora of chemical, physical, geological, and environmental processes. Nevertheless, a full understanding of its dynamical and structural properties is still lacking. Water molecules are associated through hydrogen bonds, with the resulting extended network characterized by a local tetrahedral arrangement. Two different local structures of the liquid, called low-density (LDW) and high-density (HDW) water, have been identified to potentially affect many different chemical, biological, and physical processes. By combining diamond anvil cell technology, ultrafast pump-probe infrared spectroscopy, and classical molecular dynamics simulations, we show that the liquid structure and orientational dynamics are intimately connected, identifying the P-T range of the LDW and HDW regimes. The latter are defined in terms of the speeding up of the orientational dynamics, caused by the increasing probability of breaking and reforming the hydrogen bonds.
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页码:235 / 240
页数:6
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