2Properties that can be extracted from Molecular Orbitals Dipole MomentsDipole moment units are charge x lengthCharges are in esu (electrostatic units) or Coulombs10-10esu = 10-19Coulombsmolecular distances are on the order of 1 Å, or 10-8cmso, molecular dipole moments are on the order of 10-10esu x 10-8= 10-18esu cm or 1 DebyeLater we will discuss how dipole moments are measured via measurements of the dielectric constant as a function of Temp (showed by Peter Debye)
3Properties that can be extracted from Molecular Orbitals Dipole MomentsdVdVxxqqxiii2)(two charges separated by a distancextwo groups of chargesfor a continuous charge distributionUsing the probability distribution from the wavefunctionthis last equation describes how dipole moments are calculated using large scale quantum mechanical calculationsit also says that dipole moments within a molecule are additive(they add like vectors)
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4Properties that can be extracted from Molecular Orbitals Dipole MomentsRecall this amide bond examplewe expect a large dipole moment heredipole moment is ~3.7 Debye for this peptide bondbut dipole moments are additivewaterpeptide bondglycineglycine dipeptideglycine tripeptideglycine tetrapeptideglycine pentapeptideglycine hexapeptide1.483.716.728.637.242.649.552.0