How do you calculate the dipole moment of water?
1 Answer
Let's suppose we put water on the xy-plane like so:
The dipole moment is calculated by looking up the dipole moment contributions from each
The net dipole points through oxygen down the y-axis in the negative direction.
Note that the dipole projection along the x directions cancel each other out; if the left dipole contribution was pointing to +x, the right contribution points to -x.
As a result, to calculate the net dipole, determine the projection of each dipole in the y direction, and then double it, since both
The
Take the angle used in the projection to be from the vertical until each
With that, and the fact that
μy,left contribution=μOH×cos(52.2388∘)
=1.5 D×0.612=0.9187
μy,right contribution=μOH×cos(−52.2388∘)
=1.5 D×0.612=0.9187
Finally, we sum them up because they are both in the same y direction:
μtot=μy,left contribution+μy,right contribution
=0.9187+0.9187=1.837 D which is pretty close to the actual
1.85 D .
Likely the error was either from the referenced