What question did this study set out to answer?

To determine accurate molecular parameters and the energy separation between the lowest singlet and triplet states of C2 by simultaneously analyzing the Ballik-Ramsay and Phillips systems.

February 13, 2015The Journal of Chemical Physics

Simultaneous analysis of the Ballik-Ramsay and Phillips systems of C2 and observation of forbidden transitions between singlet and triplet states

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Authors

WCWang ChenMinistry of Education of the People's Republic of China KKKentarou KawaguchiOkayama University PBP. F. BernathUniversity of Waterloo

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Implication

Spectroscopic deperturbation analysis reveals an updated singlet-triplet energy gap in diatomic carbon, indicating the origin of observable forbidden intercombination transitions.

Key Points

To determine accurate molecular parameters and the energy separation between the lowest singlet and triplet states of C2 by simultaneously analyzing the Ballik-Ramsay and Phillips systems.
Simultaneously analyzed 6,229 spectral lines from the Ballik-Ramsay (b3Σg(-) - a3Πu) and Phillips (A1Πu - X1Σg(+)) systems of C2 up to v = 8 and J = 76 using least-squares fitting.
Modeled interactions with 82 Dunham-like molecular parameters and spin-orbit coupling constants using Merer and Brown's N2 Hamiltonian.
Determined the spin-orbit interaction constant AbX as 6.333(7) cm⁻¹ and the X1Σg(+) to a3Πu energy separation as 613.650(3) cm⁻¹ for v = 0 levels (720.008(2) cm⁻¹ for potential minima), with a fit standard deviation of 0.0037 cm⁻¹.
Identified an energy-level crossing at J = 2 between v = 3 (F1) of the b3Σg(-) state and v = 6 of the X1Σg(+) state that induces strong wave function mixing.
Observed and verified 16 forbidden intercombination transitions between singlet and triplet states at predicted frequencies and intensities.

Cite This Study

Chen et al. (2015) studied this question.

synapsesocial.com/papers/6aa514b427d245a4842bcdfc https://doi.org/10.1063/1.4907530

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February 13, 2015The Journal of Chemical Physics

Simultaneous analysis of the Ballik-Ramsay and Phillips systems of C2 and observation of forbidden transitions between singlet and triplet states

View Full Paper

Ask AI

Bookmark

Authors

WCWang ChenMinistry of Education of the People's Republic of China KKKentarou KawaguchiOkayama University PBP. F. BernathUniversity of Waterloo

Discussion

Member takes

Implication

Spectroscopic deperturbation analysis reveals an updated singlet-triplet energy gap in diatomic carbon, indicating the origin of observable forbidden intercombination transitions.

Key Points

To determine accurate molecular parameters and the energy separation between the lowest singlet and triplet states of C2 by simultaneously analyzing the Ballik-Ramsay and Phillips systems.
Simultaneously analyzed 6,229 spectral lines from the Ballik-Ramsay (b3Σg(-) - a3Πu) and Phillips (A1Πu - X1Σg(+)) systems of C2 up to v = 8 and J = 76 using least-squares fitting.
Modeled interactions with 82 Dunham-like molecular parameters and spin-orbit coupling constants using Merer and Brown's N2 Hamiltonian.
Determined the spin-orbit interaction constant AbX as 6.333(7) cm⁻¹ and the X1Σg(+) to a3Πu energy separation as 613.650(3) cm⁻¹ for v = 0 levels (720.008(2) cm⁻¹ for potential minima), with a fit standard deviation of 0.0037 cm⁻¹.
Identified an energy-level crossing at J = 2 between v = 3 (F1) of the b3Σg(-) state and v = 6 of the X1Σg(+) state that induces strong wave function mixing.
Observed and verified 16 forbidden intercombination transitions between singlet and triplet states at predicted frequencies and intensities.

Cite This Study

Chen et al. (2015) studied this question.

synapsesocial.com/papers/6aa514b427d245a4842bcdfc https://doi.org/10.1063/1.4907530

Also Consider

Synapse has enriched one closely related paper. Consider it for comparative context:

1The A'^{3}Σ_{g} - Χ'^{3}Π_{u} Band System of the C_{2} Molecule.1963 · 126 citations

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