And some large compounds that have polar unit you would better not use calculated value. The magnetic dipole moment is a vector quantity and its direction is given by the right-hand thumb rule. The strength of that tiny magnet, the magnetic dipole moment m, is given by m NIA, giving the units - Ampere meter square.

So, the compounds that have more than 2 same polar functional group and symmetry compounds, you would better not use calculated value. A tiny current loop act's as a tiny magnet technically called a magnetic dipole. A method for computation of dipole moments from the polarization propagator is presented and applied to the H2O molecule. With calculation, Dipole moment will be negated for MO calculation but not so in real solvent.Ĭ2v, C3v compounds are much better with MO calculation.Ĭi, D*h, D2, D2d, D2h, D3, D3d, D3h, D4h, D6h, Oh, Td,C3, C2h, C3h, C*v you would better not use calculated value. The compounds that have polar functional group both the side, such symmetry compounds are out of line. I validated the result according to the point groups. When I calculate MOPAC, it produce the type of Point Group of molecule. Let’s examine which is good, which is bad. The formula for electric dipole moment for a pair of equal & opposite charges is p qd, the magnitude of the charges multiplied by the distance between the two. I validated the 1852 compounds that have experimental dipole moment with MOPAC result. You need to know which compounds lead large error. But experimental dipole moment and calculated dipole moment is very different for some case. And these day, they use the dipole moment calculated by molecular orbital or charge equilibration.

The experimental value of dipole moment is not listed in database so much. Or if you want to know the Hansen Solubility parameter polarity term, dipole moment value is needed. When you want to synthesis something with Micro Wave, dipole moment may become important. The dipole moment of a molecule can be calculated by Equation 1 1: i qir i (1) (1) i q i r i.

Dipole moment is not so important for chemical engineering area. Dip ole moment is measured in Debye units, which is equal to the distance between the charges multiplied by the charge (1 Debye eq uals 3.34 ×1030 Cm 3.34 × 10 30 C m ).

Dipole moment formula