关键词: hydrogen bonding, molecular crystals, structural transitions in nanoscale materials, liquid-liquid transitions

Abstract:

A sequential of concepts developed in the last decade has enabled a resolution to multiple anomalies of water ice and its low-dimensionality, particularly. Developed concepts include the coupled hydrogen bond (O:H-O) oscillator pair, segmental specific heat, three-body coupling potentials, quasisolidity, and supersolidity. Resolved anomalies include ice buoyancy, ice slipperiness, water skin toughness, supercooling and superheating at the nanoscale, etc. Evidence shows consistently that molecular undercoordination shortens the H-O bond and stiffens its phonon while undercoordination does the O:H nonbond contrastingly associated with strong lone pair “:” polarization, which endows the low-dimensional water ice with supersolidity. The supersolid phase is hydrophobic, less dense, viscoelastic, thermally more diffusive, and stable, having longer electron and phonon lifetime. The equal number of lone pairs and protons reserves the configuration and orientation of the coupled O:H-O bonds and restricts molecular rotation and proton hopping, which entitles water the simplest, ordered, tetrahedrally-coordinated, fluctuating molecular crystal covered with a supersolid skin. The O:H-O segmental cooperativity and specific-heat disparity form the soul dictate the extraordinary adaptivity, reactivity, recoverability, and sensitivity of water ice when subjecting to physical perturbation. It is recommended that the premise of “hydrogen bonding and electronic dynamics” would deepen the insight into the core physics and chemistry of water ice.

Key words: hydrogen bonding, molecular crystals, structural transitions in nanoscale materials, liquid-liquid transitions