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Water Structure

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The Attribute of Water

Part of the book series: Springer Series in Chemical Physics ((CHEMICAL,volume 113))

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Abstract

The geometry structure, mass density ρ(g/cm3), the size (dH) and separation (dOO = dL + dH) of molecules packed in water and ice are closely correlated, which reconciles: (i) the dx symmetrization in compressed ice, (ii) the dOO relaxation of cooling water and ice and, (iii) the dOO expansion between undercoordinated molecules. With any one of the dOO, the density ρ, the dL, and the dH, as a known input, one can resolve the rest using this solution that is probing conditions or methods independent. Consistency between predictions and observations clarified that: (i) liquid water prefers statistically the mono-phase of tetrahedrally-coordinated structure with high fluctuation, (ii) the supersolid phase (strongly polarized and much less dense) exists only in regions consisting undercoordinated molecules and, (iii) repulsion between electron pairs on adjacent oxygen atoms dictates the cooperative relaxation of the segmented O:H–O bond.

• Water prefers the fluctuating, tetrahedral geometry because O tends to hybridize its sp orbits.

• The tetrahedral geometry and mass density entitles the size and separation of molecules packed in water and ice.

• Presence of nonbonding lone pairs and bonding pairs determine the atomistic anisotropy of an H 2 O.

• The O:H–O bond holds universally in all phases albeit its angle and segmental length relaxation.

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  1. School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore, Singapore

    Chang Q. Sun

  2. **angtan University, Changsha, China

    Yi Sun

  3. China Jiliang University, Hangzhou, China

    Yi Sun

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Sun, C.Q., Sun, Y. (2016). Water Structure. In: The Attribute of Water. Springer Series in Chemical Physics, vol 113. Springer, Singapore. https://doi.org/10.1007/978-981-10-0180-2_2

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