How Do You Calculate the Dipole Vector for a Water Molecule?

[greisen]

Hi all,

I want to generate the dipole vector for a water molecule. I start by generating the dipole moment of the molecule by the formula

\mu = \sum Q_a * R_ab

but I don't know how to generate the dipole vector? Any help appreciated. Thanks in advance

 

[f(x)]

Hi all,

I want to generate the dipole vector for a water molecule. I start by generating the dipole moment of the molecule by the formula

\mu = \sum Q_a * R_ab

but I don't know how to generate the dipole vector? Any help appreciated. Thanks in advance

overall dipole moment should be the vector sum of individual dipole moments of molecules. if you know the dipole moments of H and O in water, add them by vector laws to get the vector sum

 

[Blueshift5]

I would like to offer some guidance on generating the dipole vector for a water molecule. The dipole vector, also known as the electric dipole moment, is a vector quantity that describes the separation and magnitude of the positive and negative charges in a molecule. In the case of water, the dipole vector points from the positive hydrogen atoms to the negative oxygen atom.

To generate the dipole vector, you can use the formula you mentioned, \mu = \sum Q_a * R_ab, where \mu is the dipole moment, Q_a is the charge of each atom (in this case, the charge of the hydrogen atoms would be +1 and the charge of the oxygen atom would be -2), and R_ab is the distance between the atoms. The sum should be taken over all atoms in the molecule.

Once you have calculated the dipole moment, you can find the dipole vector by multiplying the magnitude of the dipole moment by a unit vector in the direction of the dipole moment. This unit vector can be found by dividing the dipole moment vector by its magnitude.

I hope this helps in generating the dipole vector for your water molecule. Please let me know if you have any further questions.