Water

Water

Water

Vibration Spectrum of Water

Water

The Water MoleculeThe occupied molecular orbitals (as electron probability distributions of the isolated molecule) were calculated using the Restricted Hartree-Fock wave function (RHF) using the 6-31G** basis set. They are set out with the lowest energy (most negative) molecular orbitals at the top. The calculated energies are -559 ev, -37 ev, -19 ev, -15 ev and -14 ev. It can be seen that the three highest energy orbitals are orthogonal around the oxygen atom, with two lowest energy orbitals (1s2 and mostly 2s2) approximately spherical (at the top).  There are no obvious sp3 hybridization characteristics. The highest energy orbital (1b1) is predominantly  pz

2 in character and mainly

contributes to the “lone pair” effects. These orbitals are appreciably changed in ice and water, with the 3a1 orbital

being shown experimentally to contribute most to hydrogen bonding

sbu.ac.uk/water/h2oorb.html

Water

Water DimmersWhen two molecules come close to each other, hydrogen bonding holds them into a dimer, which may have one or two H-bonds, or converting from one to the other.

Water

Water Dimmer

Water

Ice at Atmospheric pressure

At 1 atm, solid water is called ice I. There are two types: hexagonal Ih and cubic Ic. Hydrogen bonding features crystal structures of ice.

Water

Hexagonal Ice Ih

Water

Phase Diagram for H2O

Water

Amorphous solid H2O

Water

Phase diagrams of water

Phase diagram for junior scientists and phase diagram including extreme conditions – very high pressure, at which other forms of ice are present.

Water

Absorption coefficient of Liquid WaterWhy is water blue?

Water

Dissolving HCl in Water

The interaction of HCl molecule and water molecules is depicted here in a 2-dimensional, and let your imagination bring you the picture in 3-D please.