Dipole moment


by Arun Prasath
Tags: dipole, moment
Arun Prasath
Arun Prasath is offline
#1
Mar5-13, 12:25 AM
P: 15
What is the procedure to calculate the dipole moment value of a molecule? what is the dipole moment value of venadium pantoxide (V2O5)?
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cgk
cgk is offline
#2
Mar5-13, 05:16 AM
P: 402
You make a guess for the molecular geometry, fire up your favorite quantum chemsitry program, and tell it to optimize the geometry and calculate the dipole moment using some electronic structure method (e.g., Kohn-Sham DFT).
Arun Prasath
Arun Prasath is offline
#3
Mar5-13, 10:53 PM
P: 15
To cgk,
sir I know the geometry of the molecule is trigonal bipyramidal. I just need the value of dipole moment for the molecule V2O5 (Vanadium Pentoxide).


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