1210.1638 (Chang Q. Sun)
Chang Q. Sun
A slight, molecular-undercoordination-induced contraction of the stiffer O-H real-bond and a significant, inter-electron-pair repulsion driven, elongation of the softer H:O non-bond, and the associated stiffness relaxation, of the segmented O-H:O bond, are recognized as the key to stiffening molecular clusters, surface skins, and ultrathin films of water. Agreement between calculations and measurements verified our expectations that the shortened-and-stiffened real-bond stiffens the stiffer phonons (>3000 cm-1), densifies bonding electrons, entraps binding energy, and elevates the melting point and hence the viscosity, surface tension, and elasticity, and that the lengthened-and-softened non-bond softens the softer phonons (<300 cm-1), expands the volume, and polarizes the electron pairs of the undercoordinated molecules in freestanding and encapsuled clusters, water surfaces, and ultrathin films that exhibit ice- or glue-like and hydrophobic nature at the ambient. This effect becomes more significant as N is reduced.
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http://arxiv.org/abs/1210.1638
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