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In chemistry, a water cluster is a discrete hydrogen bonded assembly or cluster of molecules of water. [ 1 ] [ 2 ] Many such clusters have been predicted by theoretical models ( in silico ), and some have been detected experimentally in various contexts such as ice , bulk liquid water, in the gas phase , in dilute mixtures with non-polar ...
Water molecules stay close to each other , due to the collective action of hydrogen bonds between water molecules. These hydrogen bonds are constantly breaking, with new bonds being formed with different water molecules; but at any given time in a sample of liquid water, a large portion of the molecules are held together by such bonds. [61]
A sodium cation is solvated by water molecules with their partially negative charged lone pairs pointing inwards towards the positively charged sodium ion The hydration number of a compound is defined as the number of molecules of water bonded to a central ion, often a metal cation.
Molecular Orbital Theory vs. Valence Bond Theory has been a topic of debate since the early to mid 1900s. Despite continued heated debate on which model more accurately depict the true bonding scheme of molecules, scientists now view MO and VB theories as complementary and teammates.
A water model is defined by its geometry, together with other parameters such as the atomic charges and Lennard-Jones parameters. In computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent.
The number of solvent molecules surrounding each unit of solute is called the hydration number of the solute. A classic example is when water molecules arrange around a metal ion. If the metal ion is a cation, the electronegative oxygen atom of the water molecule would be attracted electrostatically to the positive charge on the metal ion. The ...
Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation.
The self-diffusion coefficient of neat water is: 2.299·10 −9 m 2 ·s −1 at 25 °C and 1.261·10 −9 m 2 ·s −1 at 4 °C. [2] Chemical diffusion occurs in a presence of concentration (or chemical potential) gradient and it results in net transport of mass. This is the process described by the diffusion equation.