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Spectroscopy of TaO.
Al-Khalili1, Hällsten, Launila
1Department of Physics, Stockholm University, Stockholm, S-11385, Sweden
Journal of Molecular Spectroscopy
|November 30, 1999
Summary
Researchers analyzed tantalum oxide (TaO) emission bands using Fourier transform spectroscopy (FTS). They identified new electronic states and improved understanding of the ground state, including a novel application of Hund
Area of Science:
- Molecular Spectroscopy
- Computational Chemistry
Background:
- Tantalum oxide (TaO) is a molecule with complex electronic structure.
- Understanding TaO's electronic states is crucial for various chemical and physical applications.
Purpose of the Study:
- To investigate the emission spectra of TaO.
- To identify and characterize new electronic states of TaO.
- To refine the understanding of the ground electronic state (X(2)Delta) of TaO.
Main Methods:
- Fourier transform spectroscopy (FTS) was employed to record emission bands.
- An electrodeless 2450-MHz discharge was used as the excitation source.
- On-line monitoring with a MES spectrometer facilitated data acquisition.
Main Results:
- Emission bands of TaO were recorded between 7000 and 28 000 cm(-1).
- Transitions involving 14 electronic substates, including one previously unreported state, were analyzed.
- A Hund's case (a) description was applied to the X(2)Delta ground state for the first time.
- Two additional states from an unreported band near 10 000 cm(-1) were analyzed, potentially involving a (2)Sigma state.
- A local perturbation in the P' state was observed and modeled using a three-level interaction scheme.
Conclusions:
- The study significantly expands the known electronic states of TaO.
- Improved parameters for the X(2)Delta ground state were determined.
- The findings provide new insights into molecular perturbations and their modeling.