Transition dipole moment of diatomic molecules

In summary, the TDMs between two different electronic states of a diatomic molecule can be calculated in either direction. However, the dipole moment operator is hermitian, so the TDM from state A to state B is different from the TDM from state B to state A, with the latter being the complex conjugate of the former.
  • #1
sams
Gold Member
84
2
Hello Everyone,

A little question regarding the TDMs between two different electronic states of a diatomic molecule. If I am calculating the TDM from state A to state B, is it the same if we are calculating the TDM from state B to state A? Are these two transitions the same?

Thank you so much in advance?
 
Physics news on Phys.org
  • #2
Almost. The dipole moment operator is hermitian. So the TDM from A to B is ##\langle B|d|A \rangle## while the TDM for B to a is ##\langle A |d| B \rangle=(\langle B|d|A \rangle)^*##, i.e. the complex conjugate.
 
  • Like
Likes sams
  • #3
Thank you very much DrDu for your help.
 

What is transition dipole moment of diatomic molecules?

The transition dipole moment of a diatomic molecule is a measure of the strength and direction of the electric dipole moment during a transition between two electronic states. It represents the change in the dipole moment of a molecule as it undergoes a transition from one energy state to another.

How is transition dipole moment calculated?

The transition dipole moment is calculated using the formula μ = ∫Ψf*μΨi dτ, where μ is the transition dipole moment, Ψf and Ψi are the wavefunctions of the final and initial electronic states, and dτ is the integration over all space.

What factors affect the transition dipole moment of diatomic molecules?

The transition dipole moment of diatomic molecules is affected by the difference in the electronegativities of the atoms, the bond length, and the orientation of the molecule in space. It is also influenced by the electronic structure and symmetry of the molecule.

How is transition dipole moment related to spectroscopy?

The transition dipole moment plays a crucial role in spectroscopy, as it determines the intensity and polarization of the absorption or emission of light during a transition. It is used to interpret and analyze the spectra of diatomic molecules and provides important information about their electronic structure.

Can the transition dipole moment of diatomic molecules be measured experimentally?

Yes, the transition dipole moment can be measured experimentally using various spectroscopic techniques such as absorption, emission, and Raman spectroscopy. It can also be calculated from the observed spectra and compared to theoretical values to validate theoretical models and calculations.

Similar threads

I Collision-induced free-free absorption in fluids and superfluids
    • Atomic and Condensed Matter
Replies
13
Views
2K
I Transition Dipole Moments for Strontium
    • Atomic and Condensed Matter
Replies
1
Views
1K
I Selection Rules for a Diatomic Molecule?
    • Atomic and Condensed Matter
Replies
4
Views
1K
A Calculating the interaction potential between 2 molecules
    • Atomic and Condensed Matter
Replies
3
Views
565
A AC Stark shift in diatomic molecules
    • Atomic and Condensed Matter
Replies
6
Views
1K
I Effective Hamiltonian to Rotational Term Values
    • Atomic and Condensed Matter
Replies
0
Views
378
I Electron transitions within the same excited state?
    • Atomic and Condensed Matter
Replies
7
Views
2K
A Can we have molecular transitions that change multiplicity?
    • Atomic and Condensed Matter
Replies
1
Views
2K
I Dipole moment of Rydberg states
    • Atomic and Condensed Matter
Replies
2
Views
911
A Calculation of dipole and quadrupole momentum of CO
    • Atomic and Condensed Matter
Replies
2
Views
950

Hot Threads

Recent Insights

Back
Top