B. Prevel et al., STRUCTURAL CHARACTERIZATION OF AN ELECTROLYTIC AQUEOUS-SOLUTION, LICL-CENTER-DOT-6H(2)O, IN THE GLASS, SUPERCOOLED LIQUID, AND LIQUID STATES, The Journal of chemical physics, 103(5), 1995, pp. 1886-1896
Using the technique of hydrogen and deuterium substitution, the struct
ure of water in concentrated lithium chloride aqueous solutions (LiCl
. 6H(2)O) is explored for the liquid, supercooled liquid, and glass st
ates. It is found that changes in structure between the glass and supe
rcooled states are minor, but that a major change in water structure o
ccurs as the supercooled liquid is heated above the temperature of per
itexy of the penta-hydrate (T-p = 207 K). In particular the 4.4 Angstr
om peak in the OO pair correlation function of pure water, which is no
rmally viewed as indicating tetrahedral short range coordination in wa
ter, is absent in the LiCl solution at the same temperature, but reapp
ears strongly in the glass and supercooled states. Corresponding chang
es occur in the HH and OH correlation functions. In addition, correlat
ions appear to extend nearly twice as far in the glass and supercooled
liquid, compared to the room temperature liquid. (C) 1995 American In
stitute of Physics.