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Water (H 2 O ) is a simple triatomic bent molecule with C 2v molecular symmetry and bond angle of 104.5° between the central oxygen atom and the hydrogen atoms. Despite being one of the simplest triatomic molecules , its chemical bonding scheme is nonetheless complex as many of its bonding properties such as bond angle , ionization energy ...
To put this in perspective: the lowest excitation vibrational energy in water is the bending mode (about 1600 cm −1). Thus, at room temperature less than 0.07 percent of all the molecules of a given amount of water will vibrate faster than at absolute zero. As stated above, rotation hardly influences the molecular geometry.
For example, the water molecule has three normal modes of vibration: symmetric stretch in which the two O-H bond lengths vary in phase with each other, asymmetric stretch in which they vary out of phase, and bending in which the bond angle varies. The molecular symmetry of water is C 2v with four irreducible representations A 1, A 2, B 1 and B 2.
The water molecule is an asymmetric top, that is, it has three independent moments of inertia. Rotation about the 2-fold symmetry axis is illustrated at the left. Because of the low symmetry of the molecule, a large number of transitions can be observed in the far infrared region of the spectrum.
The steric number of a central atom in a molecule is the number of atoms bonded to that central atom, called its coordination number, plus the number of lone pairs of valence electrons on the central atom. [11] In the molecule SF 4, for example, the central sulfur atom has four ligands; the coordination number of sulfur is four. In addition to ...
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, often using molecular dynamics or Monte Carlo methods.
Water is an inorganic compound with the chemical formula H 2 O.It is a transparent, tasteless, odorless, [c] and nearly colorless chemical substance.It is the main constituent of Earth's hydrosphere and the fluids of all known living organisms (in which it acts as a solvent [20]).
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 result is a solvation shell of water molecules that surround the ion.
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