Electronic Molecular Spectra - significance of band origin?

In summary, the band origin and rotational constant are important in understanding the spectral structure of vibration-rotation transitions and can provide valuable insights into the properties of molecules in the ultraviolet region.
  • #1
DanAbnormal
23
0
Can anybody tell me the significance of the band origin for a P(Q)R structure in the ultraviolet region of a molecules spectrum?
In standard vibrational spectra, I understand that its roughly the harmonic frequency of the oscillator, and that the rotational constant can also be found from separations.

Now say I am looking at vibration-rotation transitions between the ground state and the excited state. What is the significance of the band origin and rotational constant?

If the internuclear separations of the ground state and excited state are equal, then the spectral structure should be like that for ordinary vib-rotational spectra, is that right? Therefore the ground state and first excited states have the same rotational constant B (becuase it depends on R, internuclear distance) but what doe the band origin signify, because obviously its positioned somewhere in the UV, whereas the band origin for normal vibration spectra is centred in the infrared...

Can someone enlighten me please?!

Cheers
 
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  • #2
The band origin for a P(Q)R structure is the energy of the lowest energy state in a given vibrational transition. This is the same as the zero-point energy for an ordinary vibrational spectra. The rotational constant represents the energy associated with the rotation of the molecule, and the position of the band origin can provide information about the strength of the intermolecular interaction between the ground state and the excited state.
 

Related to Electronic Molecular Spectra - significance of band origin?

1. What is the significance of the band origin in electronic molecular spectra?

The band origin in electronic molecular spectra refers to the energy at which a band appears in a spectrum. It represents the energy difference between the ground state and the excited state of a molecule, and provides information about the electronic structure and properties of the molecule.

2. How is the band origin determined in electronic molecular spectra?

The band origin is determined by measuring the transition energy between the ground and excited states of a molecule. This can be done using various spectroscopic techniques, such as UV-Vis spectroscopy, infrared spectroscopy, or fluorescence spectroscopy.

3. What factors can affect the band origin in electronic molecular spectra?

The band origin can be affected by several factors, including the molecular structure, the nature of the electronic transition, and the surrounding environment. Molecular vibrations, solvent interactions, and temperature can also influence the position of the band origin.

4. How can the band origin be used to identify a molecule?

The band origin can be used as a fingerprint to identify a molecule, as it is unique to each molecule and can be compared to reference spectra. Additionally, changes in the band origin can indicate structural changes or interactions with other molecules, aiding in the identification process.

5. What information can be obtained from the band origin in electronic molecular spectra?

The band origin can provide information about the electronic structure, bonding, and symmetry of a molecule. It can also reveal the type of electronic transition (i.e. singlet or triplet), and the magnitude of the transition dipole moment, which can give insights into the reactivity and optical properties of the molecule.

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