Initially ground state dipole moment was calculated from the theoretical method using software. Due to lack of facilities I can not calculate Excited state dipole moment. Seeking to calculate mathematically (excited state).
If your molecule shows absorption and emission spectra, then measure solvent dependent spectral properties , and from the stoke's shift value you can determine excited state dipole moment , using Lippert's , or Bakhshiev's or Kawski–Chamma–Viallet's equation....Read the papaer, you will understand the whole thing clearly
http://www.sciencedirect.com/science/article/pii/S0030401810006498#
As Snigdha said, the calculation of the difference between the ground and excited state dipole moments is fairly srtaightforward with the lippert-mataga equation. Just remember to use non-protic solvents, otherwise you might find specific effects that mess the relationship. there are quite a few references that use it, just google the name of the equation.
Thank you Snigdha Ghosh and M. Vazquez. I received perfect information from you.
I understand the mathematical steps from that Article...
In case your compound is non-emitting you can still calculate excited state dipole moments by using only absorption data according to Suppan and Tsiamis: Spectrochim. Acta 36A, 1980, 971 or Suppan: Chem. Phys. Lett. 1983, 94, 272.
Thank You Raffaello for your kind answer to my question, Thank you......
If i want to calculate the dipole moment of both The ground and excited states ???
Muhammad Khattab@ For simple molecule you can use Gaussian software from that you can calculate ground and excited states dipole moment.
For the calculation of dipole moment by using the relation pg= m2-m1/2 {hca3/2m1}1/2. May I know how the units as a whole converted to Debye. Kindly suggest.
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