Observation and spectral analysis of the a ω=1 – x ω=0+ electronic transition of diatomic platinum sulfide, pts, by intracavity laser absorption spectroscopy with fourier transform detection (ils-fts)
O'Brien, Leah C.
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https://hdl.handle.net/2142/107378
Description
Title
Observation and spectral analysis of the a ω=1 – x ω=0+ electronic transition of diatomic platinum sulfide, pts, by intracavity laser absorption spectroscopy with fourier transform detection (ils-fts)
Author(s)
O'Brien, Leah C.
Contributor(s)
Zou, Wenli
O'Brien, James J.
Harms, Jack C.
Issue Date
2020-06-26
Keyword(s)
Electronic structure
Potential energy surfaces
Abstract
Using ILS-FTS, we have recorded the $\it{A}$ $\Omega$=1 – $\it{X}$ $\Omega$=0$^{+}$ transition of diatomic PtS. Strong bands were observed at 15,520 and 15,910 \wn, which have been identified as the (0,0) and (1,0) vibrational bands. The P- and R-branches show a regular pattern for the $^{194}$PtS, $^{195}$PtS, $^{196}$PtS and $^{198}$PtS isotopologues, but quite interestingly the Q-branch shows significant hyperfine splitting for $^{195}$PtS. Although P- and R-branches were easily assigned based on the known ground state constants, the Q-branch seems to be perturbed, requiring q, q$_{D}$, and q$_{H}$ parameters to achieve only a sub-par fit. This indicates the presence of a nearby $\Omega$=0$^{-}$ state that is perturbing the $\it{f}$–levels in the $\it{A}$ $\Omega$=1 state. A successful deperturbation analysis and fit were performed in PGOPHER, and molecular constants for the $\it{A}$ $\Omega$=1 and perturbing $\Omega$=0$^{-}$ states were obtained. High-level $\it{ab\, initio}$ calculations support this assignment and predict an $\Omega$=0$^{-}$ state in close proximity to the $\it{A}$ state. Results and discussion of this analysis will be presented.
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