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Feb 10, 2006 · Abstract. Despite long study, a molecular picture of the mechanism of water reorientation is still lacking. Using numerical simulations, we find support for a pathway in which the rotating water molecule breaks a hydrogen bond (H-bond) with an overcoordinated first-shell neighbor to form an H-bond with an undercoordinated second-shell neighbor.
- Damien Laage, James T. Hynes, James T. Hynes
- 2006
Structure of Water. Water is a simple molecule consisting of one oxygen atom bonded to two different hydrogen atoms. Because of the higher electronegativity of the oxygen atom, the bonds are polar covalent (polar bonds). The oxygen atom attracts the shared electrons of the covalent bonds to a significantly greater extent than the hydrogen atoms.
The simplest description of a water molecule’s reorientation kinetics relies on the time-correlation function (TCF) of the molecular orientation. For a given body-fixed vector such as the water OH bond or dipole moment, this function tracks how fast memory of the initial orientation is lost. Its definition is.
Jan 30, 2023 · The molecule of water. A molecule is an aggregation of atomic nuclei and electrons that is sufficiently stable to possess observable properties — and there are few molecules that are more stable and difficult to decompose than H 2 O. In water, each hydrogen nucleus is bound to the central oxygen atom by a pair of electrons that are shared ...
The slightly negative particles of a compound will be attracted to water's hydrogen atoms, while the slightly positive particles will be attracted to water's oxygen molecule; this causes the compound to dissociate. Besides the explanations above, we can look to some attributes of a water molecule to provide some more reasons of water's uniqueness:
Dec 29, 2006 · We study how water OH reorientation dynamics’ short and long-time contributions depend on the hydrogen (H)-bond strength. The initial librational reorientation occurs within a cone. We show quantitatively that the stronger the H-bond, the smaller the cone angle and librational reorientation amplitude. The long-time decay is independent of the ...
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May 12, 2021 · When the water molecule is rotated by 21.2 ± 0.2° around the Co–O bond, the directional magnetic susceptibility of the single crystal changes by approximately 30% along the a -axis due to the ...
