title: The single-crystal, basal face of ice I(h) investigated with sum frequency generation.
abstract: Sum frequency generation spectroscopy has been used to investigate the hydrogen-bonded region of single-crystal, hexagonal ice in the temperature range of 113-178 K. The temperature and polarization dependences of the signal are used in conjunction with a recent theoretical model to suggest an interpretation of the bluest and reddest of the hydrogen-bonded peaks. The reddest feature is associated with strong hydrogen bonding; the dynamic polarizability of this feature is primarily parallel to the surface. It is assigned to a cooperative motion among the companion to the free-OH and four-coordinate oscillators hydrogen bonded to dangling lone-pair molecules on the surface. The bluest hydrogen-bonded feature is similarly assigned to a cooperative motion of the OH stretch of dangling lone-pair molecules and of four-coordinate molecules in the lower half bilayer that are hydrogen bonded to free-OH molecules. Reconstruction induced strain is present at as low as 113 K. These results provide a richer picture of the ice surface than has heretofore been possible.
authors: Pearson Laboratory, Department of Chemistry, Tufts University, Medford, Massachusetts 02155, USA.
authors: Henning
authors: H
authors: Groenzin
authors: Irene
authors: I
authors: Li
authors: Victoria
authors: V
authors: Buch
authors: Mary Jane
authors: MJ
authors: Shultz