Calculate the potential energy of the following two water molecules if only inte

Question

Calculate the potential energy of the following two water molecules if only intermolecular London-dispersion and electrostatic contributions to the potential are considered. The internuclear distance between the oxygen atoms is 4 Å. The line connecting the oxygen nuclei bisects the H-O-H angle of each water molecule (i.e. represents an axis of symmetry for the system). All atoms lie within the plane of the paper. These water molecules are in a vacuum. Assume bond distances, angles, partial charges, etc. are as given

2. What is the optimal orientation (that with the lowest potential) of these two water molecules? (It is okay to make some assumptions about reorientation of the molecules, but that reorientation should be logically justified; then the optimal distance should be mathematically justified. I’m not looking for you to determine an absolute energy minimum for the potential function with respect to distance AND orientation, but if you want to do that… go nuts.)

3. What is the H for reorientation of the water molecules from the orientation in 1 to that in 2?

1. Cakulate the patentiall enerzy of the following two water molecules if only intermolecular London-dispersicn = ndl lectrostatic contributions to t he pete ntial a re considered. The internucleardistance between the oxygen atoms is 4 A. The line connecting the oxygen nuclei bisects the H-O-H ange cf each water molecule [La represents an axis of symmetry for the system).All atoms lic within the pane ot the paper. These water molecules anvauum. and Wang- 48 (It i pkay to mak somc assumptions bout rcorintation t themoçcues,but that reorientation should be logically justified; then the cptimal distance should be mathematically just fied. I'm rot looking foryou to determire an abso ute energy min imum for the potential function with respectto distance AND orientaticn, but if you want to do that...gonuts) Whatisthe &H; for recrientation of the water molecules from the orie ntaticn in 1 to thet in 2?

Explanation / Answer

Answer

London dispersion force: when two identical or non-polar molecule come in contact with each other than a small amount of polarity induces and distort the shape of molecule, this would create interaction between molecules. It is the weakest force of interaction between molecule.

Then according to London dispersion force equation:

                                                Potential energy of the system =

= polarizability

I = First ionization energy

r = inter-atomic distance.

Electrostatic energy: It is the inter-atomic force between charge atom when they are come in contact with each other.

According to the equation:

Potential energy =

k (constant) =

q = charge of an atom

r = interatomic distance

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